469637
N-Benzylidene-tert-butylamine
98%
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About This Item
Linear Formula:
C6H5CH=NC(CH3)3
CAS Number:
Molecular Weight:
161.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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
SMILES string
CC(C)(C)\N=C\c1ccccc1
InChI
1S/C11H15N/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+
InChI key
KFLSWDVYGSSZRX-FMIVXFBMSA-N
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.
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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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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 469637-10ML | 04061836820633 |