AG00D960

5427-96-3 | 3-Aminohexanedioic acid

AG00D960

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CAS Number	5427-96-3
Catalog Number	AG00D960(AGN-PC-00K71M)
Chemical Name	3-Aminohexanedioic acid
IUPAC Name	3-aminohexanedioic acid
InChI	InChI=1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChI Key	XABCFXXGZPWJQP-UHFFFAOYSA-N
MDL Number	MFCD00010509
Molecular Formula	C6H11NO4
Molecular Weight	161.1558
NSC Number	12783
SMILES	O=C(O)CC(N)CCC(O)=O
Synonyms	3-Aminoadipic acid, 3-Aminohexanedioic acid, 5427-96-3, 3-amino-hexanedioic acid, DL-beta-Amino adipic acid, Hexanedioic acid, 3-amino-, beta-aminoadipic acid, beta-homoglutamic acid, DL-beta-Aminoadipic acid, bAad, 40967-78-0, HO2CCH2CH2CH(NH2)CH2CO2H, 3-amino-adipic acid, AK-45967, gamma-Aminoadipic acid, PubChem13446, AC1Q50AR, AC1Q5VU8, SCHEMBL42056, AC1L5D99, CHEBI:64303, CTK4I4083, XABCFXXGZPWJQP-UHFFFAOYSA-N, ACT04894, BCP27860, KS-00000NH9, NSC12783, ANW-48412, MFCD00010509, NSC-12783, AKOS006228678, AC-24583, BR-45967, DS-13745, AB0025397, AX8084449, DB-012435, ST2404895, TC-137157, FT-0630158, FT-0639684, W6854, S-5688, 427A963, I14-8916, J-511688, 3-aminohexanedioicacid, 3-Amino-hexanedioicacid, C6H11NO4, AR-1F1910, CID224389, 6286-14-2,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.069g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	161.157g/mol
Monoisotopic Mass	161.069g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-3.6

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