Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)

HCID 165576

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Basic information

CAS: 7149-10-2
Standard SMILES: COc1cc(CN)ccc1O.Cl
InChIKey: PUDMGOSXPCMUJZ-UHFFFAOYSA-N
Molecular formula: C8H12ClNO2
Average molar mass: 189.64 g/mol
Monoisotopic mass: 189.0556563

Names & identifiers

Preferred name: Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)
IUPAC: 4-(aminomethyl)-2-methoxyphenol;hydrochloride
English name: 4-Hydroxy-3-methoxybenzylamine hydrochloride
Molecular formula: C8H12ClNO2
Molecular weight: 189.64

Names & synonyms

7149-10-2Vanillylamine hydrochloride4-Aminomethyl-2-methoxyphenol hydrochlorideYD97FX0LRFNSC-62020Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)DTXSID70221705RefChem:901718DTXCID60144196230-468-34-Hydroxy-3-methoxybenzylamine hydrochloride4-(aminomethyl)-2-methoxyphenol hydrochloride

Show more names

)-2-methoxyphenoLVANILYL AMINE HClTIMTEC-BB SBB003667Vanillin hydrochloridevanillylammonium chlorideVanilylamine hydrochlorideVanillyamine hydrochloride4-AMINOMETHYL-2-METHOXYPHENO

Vanillylamine HClMFCD00012864vanillyl amine HCl4-HYDROXY-3-METHOXYBENZYLAMINE HCl4-(aminomethyl)-2-methoxyphenol;hydrochlorideVanillylamine (hydrochloride)HY-W015211AC-4782

Database identifiers

CAS: 7149-10-2
PubChem CID: 165576
DTXSID: DTXSID70221705
UNII: YD97FX0LRF
EC Number: 230-468-3

Properties

Computed structural properties

Topological polar surface area: 55.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 119

Physicochemical properties

Melting point: 219 · 219-221 °C (dec.)(lit.)
storage temp.: 30 °C · Store below +30°C.
solubility: DMSO (Slightly, Heated), Methanol (Slightly)
form: Powder
color: Off-white
Sensitive: Moisture Sensitive
BRN: 3915418 · 3915418
Stability: Hygroscopic
InChI: InChI=1S/C8H11NO2.ClH/c1-11-8-4-6(5-9)2-3-7(8)10;/h2-4,10H,5,9H2,1H3;1H
InChIKey: PUDMGOSXPCMUJZ-UHFFFAOYSA-N
SMILES: C1(OC)=C(O)C=CC(CN)=C1.Cl
LogP: 5.4 at · 5.4 at 30℃
CAS DataBase Reference: 7149 · 7149-10-2(CAS DataBase Reference)
FDA UNII: 97 FX0LRF · YD97FX0LRF
UNSPSC Code: 12352107 · 12352107
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29214990 · 29214990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 20-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19323

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29214990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Inactive
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313