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1016731-24-0 | 1-Azetidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester
CAS No: 1016731-24-0 Catalog No: AG00056D MDL No:MFCD07772065
Product Description
Catalog Number:
AG00056D
Chemical Name:
1-Azetidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester
CAS Number:
1016731-24-0
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD07772065
IUPAC Name:
benzyl 3-(aminomethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C12H16N2O2/c13-6-11-7-14(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2
InChI Key:
BYCVYBQLKZYFBQ-UHFFFAOYSA-N
SMILES:
NCC1CN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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