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167756-91-4 | Carbamic acid, [(3-aminophenyl)methyl]ethyl-, 1,1-dimethylethyl ester (9CI)
CAS No: 167756-91-4 Catalog No: AG001XJV MDL No:MFCD11099488
Product Description
Catalog Number:
AG001XJV
Chemical Name:
Carbamic acid, [(3-aminophenyl)methyl]ethyl-, 1,1-dimethylethyl ester (9CI)
CAS Number:
167756-91-4
Molecular Formula:
C14H22N2O2
Molecular Weight:
250.3367
MDL Number:
MFCD11099488
IUPAC Name:
tert-butyl N-[(3-aminophenyl)methyl]-N-ethylcarbamate
InChI:
InChI=1S/C14H22N2O2/c1-5-16(13(17)18-14(2,3)4)10-11-7-6-8-12(15)9-11/h6-9H,5,10,15H2,1-4H3
InChI Key:
VAOXZCDQZZNIJR-UHFFFAOYSA-N
SMILES:
CCN(C(=O)OC(C)(C)C)Cc1cccc(c1)N
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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