(3-Amino-2-methylphenyl)methanol

HCID 577175CAS 83647-42-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1c(N)cccc1CO
InChIKey: UVYZMJMDIMWDNJ-UHFFFAOYSA-N
Molecular formula: C8H11NO
Average molar mass: 137.18 g/mol
Monoisotopic mass: 137.08406397

Names & identifiers

Preferred name: (3-Amino-2-methylphenyl)methanol
IUPAC: (3-amino-2-methylphenyl)methanol
English name: 3-Amino-2-methylbenzyl alcohol
Molecular formula: C8H11NO
Molecular weight: 137.18

Names & synonyms

(3-Amino-2-methylphenyl)methanol83647-42-13-Amino-2-methylbenzyl alcoholbenzenemethanol, 3-amino-2-methyl-DTXSID00341940RefChem:399833DTXCID90293020627-527-4InChI=1/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1HMFCD000750283-Amino-2-methyl-benzyl Alcohol3-amino-2-methylbenzylalcohol

Show more names

Oct-7-enylamine(3-Amino-2-methylphenyl)3-Amino-2-methylbenzenemethanol3-Amino-2-methylbenzyl alcohol 97%3-Amino-2-methylbenzyl alcohol USP/EP/BP(3-Amino-2-methylphenyl)methanol - [A89288]

(3-amino-2-methyl-phenyl)methanolAKOS009157147SB38932AC-23854TS-01771F10316Z425792776(3-Amino-2-methylphenyl)methanol; 2-Methyl-3-hydroxymethylaniline

Database identifiers

CAS: 83647-42-1
PubChem CID: 577175
DTXSID: DTXSID00341940
EC Number: 627-527-4
Nikkaji: J3.578.654F

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 106 · 106-108 °C (lit.)
Boiling point: 300.8 · 300.8±27.0 °C(Predicted)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Powder
pka: 14.53 · 14.53±0.10(Predicted)
color: Off-white to light orange/purple
InChI: 1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3
InChIKey: UVYZMJMDIMWDNJ-UHFFFAOYSA-N
SMILES: Cc1c(N)cccc1CO
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.