Home Amines 68208-20-8
68208-20-8,MFCD01871299
Catalog No.:AA003IRY
68208-20-8 | 3-Amino-3-(2-chlorophenyl)propanoic acid
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Technical Information
Catalog Number:
AA003IRY
Chemical Name:
3-Amino-3-(2-chlorophenyl)propanoic acid
CAS Number:
68208-20-8
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD01871299
IUPAC Name:
3-amino-3-(2-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key:
NXXFYRJVRISCCP-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1Cl)N
NSC Number:
45727
Properties
Computed Properties
 
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

Synonyms
 
3-amino-3-(2-chlorophenyl)propanoic acid 
68208-20-8 
AC1Q3P9E 
Oprea1_473276 
ACMC-209p38 
AC1L642Q 
SCHEMBL1309481 
CTK2F7974 
KS-00001YRD 
DTXSID20286425 
ACT05016 
ALBB-006688 
3-Amino-3-(2-chloro-phenyl)-propionic acid 
BBL013281 
NSC-45727 
SBB042795 
STK504064 
AKOS000116442 
AKOS016040182 
AB10448 
CC-1183 
MCULE-9668686300 
RP11692 
3-(2-chlorophenyl)-DL-beta-alanine 
AC-24593 
AK111341 
AN-38138 
SC-45626 
3-Amino-3-(2-chloro-phenyl)propionic acid 
AB0020967 
TR-022825 
4CH-013739 
4CH-024489 
FT-0614941 
3-Amino-3-(2-chlorophenyl)propionic acid 
ST50136837 
TL80073790 
V2059 
Benzenepropanoic acid, .beta.-amino-2-chloro- 
X-3779 
208A208 
6R-0624 
(r/s)-3-amino-3-(2-chloro-phenyl)-propionic acid 
I04-5520 
J-511561 
NXXFYRJVRISCCP-UHFFFAOYSA-N 
Z56854346 
C9H10ClNO2 
dl-beta-(p-chlorophenyl)alanine 
3-AMINO-3- -PROPIONICACID 
(r)-3-amino-3-(2-chlorophenyl)propanoic acid 
(s)-3-amino-3-(2-chlorophenyl)propanoic acid 
AR-1F1742 
CID239929 
ACN-001808 
3-Amino-3-(2-chlorophenyl)propanoicacid 
MFCD01871299 
A4367 
(S)-2-amino-3-(4-chlorophenyl)propanoic acid 
(s)-3-amino-3-(2-chloro-phenyl)-propionic acid 
763922-37-8 
740794-79-0 
3-Amino-3-(2-chlorophenyl)propionic acid, 97% - 1G 1g 
19947-39-8 
79416-52-7 
DL-beta-(2-chlorophenyl)alanine 
NSC45727 
PubChem13916 
Literature
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