AG00FBJ2

68506-86-5 | (±)-4-aminohex-5-enoic acid

AG00FBJ2

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CAS Number	68506-86-5
Catalog Number	AG00FBJ2(AGN-PC-0WALDA)
Chemical Name	(±)-4-aminohex-5-enoic acid
IUPAC Name	4-aminohex-5-enoic acid
InChI	InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChI Key	PJDFLNIOAUIZSL-UHFFFAOYSA-N
MDL Number	MFCD00274577
Molecular Formula	C6H11NO2
Molecular Weight	129.1570
SMILES	C=CC(N)CCC(O)=O
Synonyms	gamma Vinyl GABA, gamma Vinyl gamma Aminobutyric Acid, gamma-Vinyl-GABA, gamma-Vinyl-gamma-Aminobutyric Acid, Sabril, Sabrilex, Vigabatrin, vigabatrin, 4-aminohex-5-enoic acid, Sabril, 60643-86-9, Vigabatrine, gamma-Vinyl GABA, 68506-86-5, 4-Amino-5-hexenoic acid, Vigabatrinum, gamma-Vinyl-GABA, Vigabatrina, Vigabatrine [French], Vigabatrinum [Latin], Vigabatrina [Spanish], 5-Hexenoic acid, 4-amino-, gamma-Vinyl-gamma-Aminobutyric Acid, MDL-71754, Sabril (TN), 4-Aminohexenoic acid, Vigabatrin [USAN:INN:BAN], GVG, MDL 71754, RMI 71754, RMI-71754, CPP-109, (R,S)-4-Amino-5-hexenoic acid, 4-Amino-hex-5-enoic acid, (+/-)-gamma-Vinyl-GABA, CHEMBL89598, CHEBI:63638, PJDFLNIOAUIZSL-UHFFFAOYSA-N, VINYL GAMMA-AMINOBUTYRIC ACID, MFCD00274577, NCGC00016087-06, Sabrilex, gamma Vinyl GABA, (R)-4-Aminohex-5-enoic acid, Vigabatrin [USAN:BAN:INN], Hexenoic acid, 4-amino, SR-01000075653, (+-)-gamma-Vinyl GABA, Kigabeq, Vigabatrin (JAN/USAN/INN), (1)-4-Aminohex-5-enoic acid, CPP 109, Prestwick_837, EINECS 270-929-6, CAS-60643-86-9, RMI-71890, (+/-)-Vigabatrin, .gamma.-vinyl GABA, MDL 71,754, .gamma.-Vinyl-GABA, Spectrum_000368, SpecPlus_000664, (y)-gamma-Vinyl GABA, AC1L1KUZ, Prestwick0_000501, Prestwick1_000501, Prestwick2_000501, Prestwick3_000501, Spectrum3_001825, (?)-gamma-Vinyl GABA, Biomol-NT_000247, V 8261, DSSTox_CID_21153, DSSTox_RID_79637, DSSTox_GSID_41153, Lopac0_001277, M071754, SCHEMBL26714, (+/-)-gamma-Vinyl GABA, BSPBio_000421, BSPBio_003469, KBioSS_000848, (A+/-)-gamma-Vinyl GABA, DivK1c_006760, SPECTRUM1502036, (+/-)-?-Vinyl GABA, SPBio_002342, (+/-)-4-Aminohexenoic acid, BPBio1_000465, BPBio1_000925, GTPL4821, DTXSID4041153, Vinyl .gamma.-aminobutyric Acid, CTK7D4255, KBio1_001704, KBio2_000848, KBio2_003416, KBio2_005984, KBio3_002973, AOB6800, HMS1569F03, HMS2094M21, HMS2096F03, HMS3263P16, (plusmn)-4-aminohex-5-enoic acid, Tox21_110301, Tox21_501277, BDBM50118886, AKOS015854596, ACN-036276, CCG-205350, CS-0791, DB01080, LP01277, (?)-4-AMINOHEX-5-ENOIC ACID, .gamma.-Vinyl-.gamma.-aminobutyric acid, NCGC00016087-03, NCGC00016087-04, NCGC00016087-05, NCGC00016087-07, NCGC00016087-08, NCGC00016087-09, NCGC00016087-11, NCGC00024802-02, NCGC00024802-03, NCGC00024802-04, NCGC00024802-05, NCGC00024802-06, NCGC00261962-01, AN-39442, AS-11778, HY-15399, LS-75569, SC-20397, SBI-0051243.P003, ( inverted question mark)-gamma-Vinyl GABA, AB0010729, AB00053309, EU-0101277, FT-0700968, gamma-Vinyl GABA; 4-Amino-5-hexenoic acid, C07500, D00535, W-5102, AB00053309_04, Q-201924, SR-01000075653-1, SR-01000075653-4, SR-01000075653-6, ( inverted exclamation markA)-4-aminohex-5-enoic acid, BRD-A07893380-001-01-6, Z2235791448, Vigabatrin, European Pharmacopoeia (EP) Reference Standard, Vigabatrin, United States Pharmacopeia (USP) Reference Standard, Vigabatrin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, vigabatrin HCl, Sabrilex (TN), Vigabatrin Hydrochloride, UNII-GR120KRT6K, Vigabatrin Aventis Brand, Vigabatrin Hoechst Brand, C6H11NO2, D0R3QY, Vigabatrin Yamanouchi Brand, Aventis Brand of Vigabatrin, Hoechst Brand of Vigabatrin, CPP109, (S)-4-aminohex-5-enoic acid, GR120KRT6K, V8261_SIGMA, Yamanouchi Brand of Vigabatrin, gamma Vinyl gamma Aminobutyric Acid, (+-)-4-aminohex-5-enoic acid, CID5665, (+/-)-4-Amino-5-hexenoic acid, C6-H11-N-O2, Acid, gamma-Vinyl-gamma-Aminobutyric, (inverted question mark)-gamma-Vinyl GABA, D020888, 74046-07-4, 77162-51-7, N/A, VGB,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	129.159g/mol
Monoisotopic Mass	129.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number