N-(1,1-Dimethylethyl)benzenemethanamine

HCID 76908CAS 3378-72-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)NCc1ccccc1
InChIKey
DLSOILHAKCBARI-UHFFFAOYSA-N
Molecular formula
C11H17N
Average molar mass
163.26 g/mol
Monoisotopic mass
163.13609954

Overview

structure in first source

Names & identifiers

Preferred name
N-(1,1-Dimethylethyl)benzenemethanamine
IUPAC
N-benzyl-2-methylpropan-2-amine
English name
N-(tert-Butyl)benzylamine
Molecular formula
C11H17N
Molecular weight
163.26

Names & synonyms

3378-72-1Benzenemethanamine, N-(1,1-dimethylethyl)-N-(1,1-dimethylethyl)benzenemethanamineN-(1,1-Dimethylethyl)benzylamineQMD9L6C8U3DTXSID2063002N-(tert-Butyl)benzenemethanamineNBTBA cpdRefChem:823305DTXCID1038747222-179-6N-benzylidene-tert-butylamine
Show more names
AI3-23247AKOS BC-1243N-BenzylisobutylamineN-BENZYL-T-BUTYLAMINEElobixibat Impurity 5TERT-BUTYL-BENZYLAMINEbenzyl-tert-butyl-amine
N-(tert-Butyl)benzylamineN-benzyl-2-methylpropan-2-amineN-Benzyl-tert-butylamineN-tert-ButylbenzylamineBenzyl(tert-butyl)aminetert-ButylbenzylamineN-t-ButylbenzylamineMFCD00008798

Database identifiers

CAS
3378-72-1
PubChem CID
76908
DTXSID
DTXSID2063002
ChEMBL
CHEMBL5430961
UNII
QMD9L6C8U3
EC Number
222-179-6
Nikkaji
J150.015E

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
-25 °C · -25 °C
Boiling point
80 °C5 · 80 °C5 mm Hg(lit.)
Density
0.881 g/mL · 0.881 g/mL at 25 °C(lit.)
vapor pressure
12.1 Pa · 12.1Pa at 25℃
refractive index
20 · n20/D 1.497(lit.)
Flash point
176 °F · 176 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4% (1 of 25) of reports.

Danger

H226 (16%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 25 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 11-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22706

Benzenemethanamine, N-(1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (16%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
2735
hs_code
29214980
risk_code
34-22-36/37/38
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, N-(1,1-dimethylethyl)-: ACTIVE

Applications

UsesN-Benzyl-tert-butylamine, is used as a protected amine. It aids in the oxidation to the corresponding hydroxylamine and nitrone.

Preparation methods

PreparationN-(tert-Butyl)benzylamine can be prepared by refluxing condensation of tert-butylamine and benzyl chloride in dimethylformamide.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

26 records
New reaction record

Linked notes

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