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864943-63-5 | Carbamic acid,[1-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 864943-63-5 Catalog No: AG004Q5C MDL No:MFCD06660460
Product Description
Catalog Number:
AG004Q5C
Chemical Name:
Carbamic acid,[1-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
864943-63-5
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD06660460
IUPAC Name:
tert-butyl N-[1-(aminomethyl)cyclohexyl]carbamate
InChI:
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3,(H,14,15)
InChI Key:
FSRHJVGZHRVXDX-UHFFFAOYSA-N
SMILES:
NCC1(CCCCC1)NC(=O)OC(C)(C)C
Properties
Complexity:
240
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:
2
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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