CAS 3378-72-1 | N-(Tert-Butyl)Benzylamine | CAS Number 3378-72-1

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3378-72-1 | N-(Tert-Butyl)Benzylamine

CAS No: 3378-72-1 Catalog No: AG0035AS MDL No:MFCD00008798

Product Description

Catalog Number:

AG0035AS

Chemical Name:

N-(Tert-Butyl)Benzylamine

CAS Number:

3378-72-1

Molecular Formula:

C11H17N

Molecular Weight:

163.2594

MDL Number:

MFCD00008798

IUPAC Name:

N-benzyl-2-methylpropan-2-amine

InChI:

InChI=1S/C11H17N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3

InChI Key:

DLSOILHAKCBARI-UHFFFAOYSA-N

SMILES:

CC(NCc1ccccc1)(C)C

EC Number:

222-179-6

Properties

Complexity:

118

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.264g/mol

Monoisotopic Mass:

163.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Classical trajectories and RRKM modeling of collisional excitation and dissociation of benzylammonium and tert-butyl benzylammonium ions in a quadrupole-hexapole-quadrupole tandem mass spectrometer.	Journal of the American Society for Mass Spectrometry 20100301