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Merck
CN

469637

N-Benzylidene-tert-butylamine

98%

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About This Item

Linear Formula:
C6H5CH=NC(CH3)3
CAS Number:
6852-58-0
Molecular Weight:
161.24
NACRES:
NA.22
PubChem Substance ID:
24870474
UNSPSC Code:
12352100
MDL number:
MFCD00043553
Assay:
98%

Key Documents

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InChI

1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+

SMILES string

CC(C)(C)\N=C\c1ccccc1

InChI key

KFLSWDVYGSSZRX-FMIVXFBMSA-N

assay

98%

refractive index

n20/D 1.52 (lit.)

bp

209 °C (lit.)

density

0.906 g/mL at 25 °C (lit.)

functional group

amine, imine, phenyl

General description

In vitro metabolism of N-benzyl-tert-butylamine in male hamster hepatic microsomal preparations has been studied. Kinetic studies of frustrated Lewis pair (FLP)-catalyzed hydrogenation and deuteration of N-benzylidene-tert-butylamine suggests that the reaction proceeds via autoinductive catalysis.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

172.4 °F - closed cup

flash_point_c

78 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB9687V
MKBB9687
11319TQ

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Sebastian Tussing et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 21(22), 8056-8059 (2015-04-17)
The frustrated Lewis pair (FLP)-catalyzed hydrogenation and deuteration of N-benzylidene-tert-butylamine (2) was kinetically investigated by using the three boranes B(C6F5)3 (1), B(2,4,6-F3-C6H2)3 (4), and B(2,6-F2-C6H3)3 (5) and the free activation energies for the H2 activation by FLP were determined. Reactions
M Ulgen et al.
Drug metabolism and drug interactions, 12(2), 131-143 (1995-01-01)
The metabolism of N-benzyl-tert-butylamine was studied in vitro using male hamster hepatic microsomal preparations. This substrate produced the corresponding nitrone, benzaldehyde and an uncharacterised metabolite. No metabolites were detected which corresponded to either authentic amide or oxaziridine. The results indicate

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