Home Amines 222714-37-6
222714-37-6,MFCD06762070
Catalog No.:AA0032EF
222714-37-6 | (S)-Methyl 4-(1-aminoethyl)benzoate
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1g
97%
in stock  
$35.00   $25.00
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5g
98%
in stock  
$148.00   $104.00
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100g
98.0%
in stock  
$2,185.00   $1,529.00
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Technical Information
Catalog Number:
AA0032EF
Chemical Name:
(S)-Methyl 4-(1-aminoethyl)benzoate
CAS Number:
222714-37-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD06762070
IUPAC Name:
methyl 4-[(1S)-1-aminoethyl]benzoate
InChI:
InChI=1S/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m0/s1
InChI Key:
XSYGLHLLQZGWPT-ZETCQYMHSA-N
SMILES:
COC(=O)c1ccc(cc1)[C@@H](N)C
Properties
Computed Properties
 
Complexity:
174  
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:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
222714-37-6 
(S)-Methyl 4-(1-aminoethyl)benzoate 
PubChem21390 
SCHEMBL881385 
CTK8B7788 
DTXSID40590819 
XSYGLHLLQZGWPT-ZETCQYMHSA-N 
CS-B0176 
KS-000000NH 
ZX-AT013201 
ANW-58587 
BBL100464 
Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester 
CA0194 
EBD313300 
FCH834110 
MFCD06762070 
STL554258 
ZINC19722314 
AKOS006237871 
AKOS015852179 
ACN-054306 
FS-3553 
4-[(1S)-1-Aminoethyl]benzoic acid methyl ester 
OR52064 
AJ-74437 
AT-22913 
Methyl-4-[(1S)-1-aminoethyl] benzoate 
QC-11336 
SC-53495 
AB0058409 
AX8227895 
TX-011151 
FT-0698040 
methyl 4-[(1S)-1-aminoethyl]benzoate 
ST24020864 
Z4437 
4-(1(S)-aminoethyl)benzoic acid methyl ester 
4-(1(S)-aminoethyl)benzoic acid methyl ester; 
M-8727 
4-[(1S)-1-Aminoethyl]-benzoic acid methyl ester 
714B376 
4-[(1S)-1-aminoethyl]-benzoic acid, methyl ester 
S01-0792 
Benzoic acid,4-[(1S)-1-aminoethyl]-, methyl ester 
methyl (S)-4-(1-aminoethyl)benzoate 
C10H13NO2 
Methyl(S)-4-(1-aminoethyl)benzoate 
CB10349 
Benzoicacid,4-[ -1-aminoethyl]-,methylester 
912342-10-0 
(S)-4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER 
(S)-4-(1-Aminoethyl)-benzoic acid methyl ester 
A1-01704 
AK-79719 
Literature
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