AG003SQP

1205-02-3 | 2-Benzamidopropanoic acid

AG003SQP

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CAS Number	1205-02-3
Catalog Number	AG003SQP(AGN-PC-0O05DT)
Chemical Name	2-Benzamidopropanoic acid
EC Number	214-879-5
IUPAC Name	2-benzamidopropanoic acid
InChI	InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
InChI Key	UAQVHNZEONHPQG-UHFFFAOYSA-N
MDL Number	MFCD00020393
Molecular Formula	C10H11NO3
Molecular Weight	193.1992
SMILES	CC(C(O)=O)NC(C1=CC=CC=C1)=O
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, N-Benzoyl-DL-alanine, 1205-02-3, Benzoyl-DL-alanine, 2-benzamidopropanoic acid, N-Benzoylalanine, Methylhippuric acid, Alanine, N-benzoyl-, benzoylalanine, dl-N-Benzoylalanine, alpha-methylhippuric acid, CHEBI:71167, 2-(Phenylformamido)Propanoic Acid, MFCD00020393, N-(phenylcarbonyl)alanine, 2-(phenylcarbonylamino)propanoic acid, 2-Benzoylamino-propionic acid, DL-Alanine, N-benzoyl-, N-alpha-BENZOYL-L-ALANINE, (2R)-2-benzamidopropanoic acid, NSC 8069, EINECS 214-879-5, N-Benzoylalanine #, Bz-DL-Ala-OH, Hippuric acid, (S)-, ACMC-1BVVI, Benzoyl-dl-alpha-alanine, Enamine_004999, AC1L2FCD, AC1Q2BHI, AC1Q5KXU, 2-benzamido-propionic acid, Benzoyl-dl-.alpha.-alanine, Cambridge id 5114698, CHEMBL8853, Oprea1_700607, CBDivE_003100, SCHEMBL698879, 2-(benzoylamino)propanoic acid, Hippuric acid, .alpha.-methyl-, L-(-)-n-benzoyl-alpha-alanine, KS-00000WEX, NSC8069, UAQVHNZEONHPQG-UHFFFAOYSA-N, HMS1408D05, 2-BENZOYLAMINOPROPIONIC ACID, 90988-29-7, ALBB-012975, l-(-)-N-Benzoyl-.alpha.-alanine, NSC-8069, NSC43124, ANW-17507, BBL002405, NSC-43124, NSC167298, SBB004603, STK889371, AKOS000264078, AKOS016050361, MCULE-7433058130, NSC-167298, IDI1_007586, NCGC00327262-01, AS-15108, O072, ST092330, SY033280, SY122663, TC-106252, B0135, FT-0689476, ST24027774, MFCD00020393 (97%), MFCD00063128 (95%), B-0750, K-1456, AB01321888-02, AE-848/00886038, Z57229049, I14-113294, InChI=1/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14, N-Benzoyl-L-alanine, Alanine, DL-, n-benzoyl-d-alanine, L-Alanine, N-benzoyl-, ALANINE, L-, Alanine, N-benzoyl-, DL-, C10H11NO3, CID71002, AR-1K6069, C10-H11-N-O3, ACN-032939, 2198-64-3, 17966-60-8, 39107-12-5,

Complexity	221
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	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number