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174799-52-1 | Carbamic acid, N-[2-[(phenylmethyl)amino]ethyl]-, 1,1-dimethylethyl ester
CAS No: 174799-52-1 Catalog No: AG001ZXW MDL No:MFCD04114275
Product Description
Catalog Number:
AG001ZXW
Chemical Name:
Carbamic acid, N-[2-[(phenylmethyl)amino]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
174799-52-1
Molecular Formula:
C14H22N2O2
Molecular Weight:
250.3367
MDL Number:
MFCD04114275
IUPAC Name:
tert-butyl N-[2-(benzylamino)ethyl]carbamate
InChI:
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3,(H,16,17)
InChI Key:
ZSJCBAQDXIZTTC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCNCc1ccccc1
Properties
Complexity:
243
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:
2
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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