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198895-74-8

198895-74-8 | 1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-(3-phenylpropyl)-, 1,1-dimethylethyl ester

CAS No: 198895-74-8 Catalog No: AG002BSN MDL No:

Product Description

Catalog Number:
AG002BSN
Chemical Name:
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-4-(3-phenylpropyl)-, 1,1-dimethylethyl ester
CAS Number:
198895-74-8
Molecular Formula:
C19H30N2O2
Molecular Weight:
318.4537
IUPAC Name:
tert-butyl 4-(3-phenylpropyl)-1,4-diazepane-1-carboxylate
InChI:
InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-14-8-13-20(15-16-21)12-7-11-17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3
InChI Key:
UFVIXGGXLLSTBJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN(CC1)CCCc1ccccc1)OC(C)(C)C

Properties

Complexity:
359  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.231g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.461g/mol
Monoisotopic Mass:
318.231g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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