AG00C7Z8

37088-66-7 | Methyl (3S)-3-Amino-3-phenylpropanoate

AG00C7Z8

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CAS Number	37088-66-7
Catalog Number	AG00C7Z8(AGN-PC-0RD6KG)
Chemical Name	Methyl (3S)-3-Amino-3-phenylpropanoate
IUPAC Name	methyl (3S)-3-amino-3-phenylpropanoate
InChI	InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1
InChI Key	XKIOBYHZFPTKCZ-VIFPVBQESA-N
MDL Number	MFCD08056711
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	O=C(OC)C[C@H](N)C1=CC=CC=C1
Synonyms	37088-66-7, (S)-Methyl 3-amino-3-phenylpropanoate, methyl (3S)-3-amino-3-phenylpropanoate, Methyl (S)-3-amino-3-phenylpropanoate, (S)-3-Amino-3-phenyl propionic acid methylester, AK104667, AC1LG39N, SCHEMBL167043, CTK8C4132, DTXSID20354971, XKIOBYHZFPTKCZ-VIFPVBQESA-N, ZINC286958, BCP28028, ANW-71106, MFCD08056711, AKOS010394929, AKOS015853929, AB43040, DS-4274, MCULE-8078861269, methyl(3s)-3-amino-3-phenylpropanoate, RP24068, WT82217, Methyl (S)-3-amino-3-phenylpropionate, (3S)-Methyl-3-amino-3-phenylpropionate, (S)-3-Phenyl-beta-alanine methyl ester, methyl (3S)-3-amino-3-phenylpropionate, Methyl-(3S)-3-amino-3-phenylpropanoate, AC-25863, AJ-18895, BBV-32461084, Methyl(S)-3-acetamido-3-phenylpropanoate, AB1010038, AX8238875, ST2408356, TR-015103, CS-0031374, FT-0671479, EN300-146153, (S)-3-Amino-3-phenylpropionic acid methyl ester, (S)-3-Amino-3-phenyl-propionic acid methyl ester, C10H13NO2, CID788099, (S)-Methyl3-amino-3-phenylpropanoate, Methyl -3-acetamido-3-phenylpropanoate, 3-Amino-3-phenyl-propionic acid, methyl ester, METHYL (S)-3-ACETAMIDO-3-PHENYLPROPANOATE, 67654-58-4, Benzenepropanoic acid, ss-amino-, methyl ester, (ssS)-,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
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