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198904-85-7 | Hydrazinecarboxylic acid, 2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 198904-85-7 Catalog No: AG002BTC MDL No:MFCD09701469
Product Description
Catalog Number:
AG002BTC
Chemical Name:
Hydrazinecarboxylic acid, 2-[[4-(2-pyridinyl)phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
198904-85-7
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
MDL Number:
MFCD09701469
IUPAC Name:
tert-butyl N-[(4-pyridin-2-ylphenyl)methylamino]carbamate
InChI:
InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-19-12-13-7-9-14(10-8-13)15-6-4-5-11-18-15/h4-11,19H,12H2,1-3H3,(H,20,21)
InChI Key:
GIMJTKJSKPENNG-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NNCc1ccc(cc1)c1ccccn1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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