AG003O6G

3440-28-6 | 3-(phenylformamido)propanoic acid

AG003O6G

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CAS Number	3440-28-6
Catalog Number	AG003O6G(AGN-PC-0R9R9J)
Chemical Name	3-(phenylformamido)propanoic acid
IUPAC Name	3-benzamidopropanoic acid
InChI	InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChI Key	CWXYHOHYCJXYFQ-UHFFFAOYSA-N
MDL Number	MFCD00037293
Molecular Formula	C10H11NO3
Molecular Weight	193.1992
SMILES	O=C(O)CCNC(C1=CC=CC=C1)=O
UNII	3W0M245736
Synonyms	betamipron, N-benzoyl-beta-alanine, N-benzoyl-D-alanine, N-benzoylalanine, N-benzoylalanine monosodium salt, (L-Ala)-isomer, N-benzoylalanine, (beta-Ala)-isomer, N-benzoylalanine, (D-Ala)-isomer, N-benzoylalanine, (DL-Ala)-isomer, Betamipron, 3440-28-6, Benzoyl-beta-alanine, 3-benzamidopropanoic acid, N-Benzoyl-beta-alanine, 3-Benzamidopropionic acid, Betamipron [INN:JAN], N-(phenylcarbonyl)-beta-alanine, 3-(Benzoylamino)propionic acid, beta-Alanine, N-benzoyl-, Betamipronum [INN-Latin], UNII-3W0M245736, BRN 2212769, MLS000069643, CHEMBL1231530, 3-(phenylformamido)propanoic acid, CWXYHOHYCJXYFQ-UHFFFAOYSA-N, CS-443, NCGC00018241-04, SMR000058183, 3W0M245736, DSSTox_CID_25626, DSSTox_RID_81011, DSSTox_GSID_45626, Betamipronum, CAS-3440-28-6, Betamipron, INN, Benzoyl-b-alanine, N-Benzoyl-|A-alanine, Spectrum_001630, Benzoyl-.beta.-alanine, Betamipron (JAN/INN), Opera_ID_1673, Spectrum2_000434, Spectrum3_001214, Spectrum4_000635, Spectrum5_001432, N-Benzoyl-.beta.-alanine, N-Benzoyl-beta-alanine #, Benzoyl-dl-.beta.-alanine, Betamipron (JP17/INN), 3-benzoylaminopropionic acid, AC1L2GK0, AC1Q75MU, Cambridge id 5117019, N-Benzoyl-b-alanine, 9CI, Oprea1_327957, BSPBio_002628, CBDivE_001204, KBioGR_001250, KBioSS_002110, 4-09-00-00796 (Beilstein Handbook Reference), SCHEMBL605899, SPECTRUM1504244, SPBio_000448, ACMC-209i77, DTXSID0045626, SCHEMBL20548456, CHEBI:31278, KBio2_002110, KBio2_004678, KBio2_007246, KBio3_002128, ZINC12614, HMS1577C12, HMS1922H19, HMS2235A09, HMS3370D05, HMS3652F09, Pharmakon1600-01504244, ALBB-010043, HY-B1127, KS-00000XN3, Tox21_110845, 3-(phenylcarbonylamino)propanoic acid, ANW-27857, BBL000483, BDBM50344964, CCG-39973, MFCD00037293, NSC192714, NSC758708, s4191, STK288042, AKOS000263883, Tox21_110845_1, CS-4674, MCULE-7715802662, NSC-192714, NSC-758708, NCGC00018241-01, NCGC00018241-02, NCGC00018241-03, NCGC00018241-05, NCGC00018241-07, NCGC00021511-03, NCGC00021511-04, AJ-08352, AS-13812, LS-15813, SBI-0207055.P001, AB0017058, TR-014260, B0099, FT-0679640, ST24028412, ST45137219, SW100974-2, A14818, D01331, J10360, Y-9240, AB00384351_13, AB00384351_14, SR-01000000193, SR-01000000193-2, BRD-K82142815-001-02-7, BRD-K82142815-001-12-6, Z56854345, BYA, N-Benzoylalanine, n-benzoyl-b-alanine, 3-Benzamidopropanoicacid, |A-alanine, N-benzoyl-, C10H11NO3, CID71651, C10-H11-N-O3, ACN-033755, P518, B1679,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.202g/mol
Monoisotopic Mass	193.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number