2-Methylbenzylamine

HCID 6993CAS 89-93-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1CN
InChIKey
CJAAPVQEZPAQNI-UHFFFAOYSA-N
Molecular formula
C8H11N
Average molar mass
121.18 g/mol
Monoisotopic mass
121.08914935

Overview

structure

Names & identifiers

Preferred name
2-Methylbenzylamine
IUPAC
(2-methylphenyl)methanamine
English name
2-Methylbenzylamine
Molecular formula
C8H11N
Molecular weight
121.18

Names & synonyms

2-Methylbenzylamine89-93-0o-MethylbenzylamineBenzenemethanamine, 2-methyl-alpha-Amino-o-xylenealpha-Amino-2-xyleneNSC-30466Z5G4SJ5XMNDTXSID3059000RefChem:88268DTXCID6048670201-952-1
Show more names
NSC 30466WLN: Z1R B12-Xylylamineα-Amino-o-xyleneAKOS BBS-00006790
o-Tolylmethanamineo-Xylylamine1-(2-methylphenyl)methanamine(2-Methylphenyl)methanamine2-methylbenzenemethanamineBENZYLAMINE, o-METHYL-MFCD000081122-methylbenzyl amine

Database identifiers

CAS
89-93-0
PubChem CID
6993
DTXSID
DTXSID3059000
ChEMBL
CHEMBL268246
UNII
Z5G4SJ5XMN
EC Number
201-952-1
Nikkaji
J41.838B

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
SpringerMaterials PropertiesOptical coefficient
LogP1.62
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
-30 °C · -30°C
Boiling point
199 °C · 199 °C(lit.)
Density
0.977 g/mL · 0.977 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.544(lit.)
Flash point
183 °F · 183 °F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazards SummaryIntravenous LD50 (mouse) = 56 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See alpha-Methylbenzylamine. See o-Toluidine.
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
DP5800000
ridadr
UN 2735 8/PG 2
hs_code
29214990

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, 2-methyl-: ACTIVE

Applications

Uses2-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants and antiviral agents.

Uses2-Methylbenzylamine, is used in the preparation of boc-2-alkylanilines: N- (tert-butoxycarbonyl)-1-methylbenzylamine

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

75 records
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Linked notes

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