AG0080JR

129043-04-5 | (S)-3-Amino-3-(pyridin-3-yl)propanoic acid

AG0080JR

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CAS Number	129043-04-5
Catalog Number	AG0080JR(AGN-PC-0PIW7V)
Chemical Name	(S)-3-Amino-3-(pyridin-3-yl)propanoic acid
IUPAC Name	(3S)-3-amino-3-pyridin-3-ylpropanoic acid
InChI	InChI=1S/C8H10N2O2/c9-7(4-8(11)12)6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)/t7-/m0/s1
InChI Key	QOTCEJINJFHMLO-ZETCQYMHSA-N
MDL Number	MFCD04113694
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	O=C(O)C[C@H](N)C1=CC=CN=C1
Synonyms	129043-04-5, (S)-3-Amino-3-(pyridin-3-yl)propanoic acid, (S)-3-Amino-3-(3-pyridyl)-propionic acid, 3-Pyridinepropanoicacid, b-amino-, (bS)-, PubChem15111, AC1LTUW4, (3S)-3-amino-3-pyridin-3-ylpropanoic acid, SCHEMBL157096, CTK4B6131, ZINC1471037, 5468AA, MFCD04113694, AKOS010394310, AB17820, CS-W007213, AJ-26269, PS-12119, (S)-3-Amino-3-(3-pyridyl)propionic acid, RT-005728, (3S)-3-Amino-3-(3-pyridyl)propionic acid, FT-0694606, K-4016, 043A045, 3-Pyridinepropanoic acid, beta-amino-, (betaS)-, (3S)-3-AMINO-3-(3-PYRIDYL)PROPANOIC ACID, I14-42683, (S)-3-Amino-3-pyridin-3-yl-propionic acid hydrochloride, C8H10N2O2, CB11477, CID1540640, 3-amino-3-pyridin-3-yl-propanoic Acid,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3

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

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