Basic information
- CAS
39895-56-2- Standard SMILES
NCc1ccc(CO)cc1- InChIKey
WMOUKOAUAFESMR-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- [4-(Aminomethyl)phenyl]methanol
- IUPAC
- [4-(aminomethyl)phenyl]methanol
- English name
- (4-AMINOMETHYL-PHENYL)-METHANOL
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
39895-56-2(4-(Aminomethyl)phenyl)methanol[4-(aminomethyl)phenyl]methanolDTXSID30424654RefChem:208502DTXCID60375488810-786-4(4-Aminomethyl-phenyl)-methanol4-Aminomethylbenzyl alcohol4-(Aminomethyl)benzyl alcoholMFCD062137664-aminomethylbenzylalcohol
Show more names
CDS-5020RARECHEM AL BW 2299ASINEX-REAG BAS 136548434-(Amimethyl)benzenemethal4-(AMinoMethyl)benzeneMethanol4-(Aminomethyl)benzylalcohol97%
(4-Aminomethylphenyl)methanolBENZENEMETHANOL, 4-(AMINOMETHYL)-4-Hydroxymethylbenzylamine4-HydroxyMethylbenzyl aMine4-(Aminomethyl)benzenemethanol; (4-Aminomethylphenyl)methanol; 4-Hydroxymethylbenzylamine; p-(Hydroxymethyl)benzylamine;p-(Hydroxymethyl)benzylamine4-(aminomethyl)benzylalcoholSCHEMBL216928
Database identifiers
- CAS
39895-56-2- PubChem CID
- 6496943
- DTXSID
DTXSID30424654- ChEMBL
CHEMBL1230249- EC Number
- 810-786-4
- Nikkaji
- J1.371.649H
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Melting point
- 80 · 80-82°C
- Boiling point
- 280 · 280.0±20.0 °C(Predicted)
- Density
- 1.113 · 1.113±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 14.44 · 14.44±0.10(Predicted)
- color
- Off-White
- InChI
- InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
- InChIKey
- WMOUKOAUAFESMR-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=C(CN)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
Safety & regulation
GHS classification
GHS Classification
Danger
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 2922190090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302-H315-H319-H332-H335
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
32 records
Compound notes
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