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1369353-14-9 | 1H-Azepine-1-carboxylic acid, 4-(aminomethyl)hexahydro-, 1,1-dimethylethyl ester
CAS No: 1369353-14-9 Catalog No: AG0012K0 MDL No:MFCD22035530
Product Description
Catalog Number:
AG0012K0
Chemical Name:
1H-Azepine-1-carboxylic acid, 4-(aminomethyl)hexahydro-, 1,1-dimethylethyl ester
CAS Number:
1369353-14-9
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD22035530
IUPAC Name:
tert-butyl 4-(aminomethyl)azepane-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-7-4-5-10(9-13)6-8-14/h10H,4-9,13H2,1-3H3
InChI Key:
RBXNJDUXLOZOIR-UHFFFAOYSA-N
SMILES:
NCC1CCCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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