Home Amines 1017789-40-0
1017789-40-0,MFCD09991641
Catalog No.:AA0005HF
1017789-40-0 | 1-Cbz-3-amino-4-hydroxymethylpyrrolidine
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250mg
97%
1 week  
$407.00   $285.00
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1g
97%
1 week  
$875.00   $613.00
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Technical Information
Catalog Number:
AA0005HF
Chemical Name:
1-Cbz-3-amino-4-hydroxymethylpyrrolidine
CAS Number:
1017789-40-0
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD09991641
IUPAC Name:
benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H18N2O3/c14-12-7-15(6-11(12)8-16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,16H,6-9,14H2
InChI Key:
YXCPNFNWSNFFFZ-UHFFFAOYSA-N
SMILES:
OCC1CN(CC1N)C(=O)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
1017789-40-0 
1-Cbz-3-amino-4-(hydroxymethyl)pyrrolidine 
CS-B0700 
3055AH 
MFCD09991641 
1-Pyrrolidinecarboxylic acid, 3-amino-4-(hydroxymethyl)-, phenylmethyl ester 
AKOS022180543 
FCH2830095 
TRA0002125 
KS-0000096H 
AS-37169 
SY016128 
1-Cbz-3-Amino-4-hydroxymethylpyrrolidine 
AB0075612 
AX8213152 
DB-023955 
TC-306707 
FT-0717691 
X-2186 
1-Pyrrolidinecarboxylic acid,3-amino-4-(hydroxymethyl)-,phenylmethyl ester 
C13H18N2O3 
504413-35-8 
10108-87-9 
Benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate 
Cis-benzyl 3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate 
3-amino-4-hydroxymethyl-pyrrolidine-1-carboxylic acid benzyl ester 
252770-09-5 
SCHEMBL1586777 
CTK8E1659 
YXCPNFNWSNFFFZ-UHFFFAOYSA-N 
Literature
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