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1260784-30-2 | 1H-1-Benzazepine-1-carboxylic acid, 8-amino-2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester
CAS No: 1260784-30-2 Catalog No: AG000R8P MDL No:
Product Description
Catalog Number:
AG000R8P
Chemical Name:
1H-1-Benzazepine-1-carboxylic acid, 8-amino-2,3,4,5-tetrahydro-, 1,1-dimethylethyl ester
CAS Number:
1260784-30-2
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
tert-butyl 8-amino-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-5-4-6-11-7-8-12(16)10-13(11)17/h7-8,10H,4-6,9,16H2,1-3H3
InChI Key:
XPXPBJXCFVXKJD-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)N(CCCC2)C(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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