4-Methoxybenzamidine Hydrochloride

HCID 12326219CAS 51721-68-7

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Basic information

Standard SMILES: COc1ccc(C(=N)N)cc1.Cl
InChIKey: AJOSDIDPIBJFAI-UHFFFAOYSA-N
Molecular formula: C8H11ClN2O
Average molar mass: 186.64 g/mol
Monoisotopic mass: 186.0559907

Names & identifiers

Preferred name: 4-Methoxybenzamidine Hydrochloride
IUPAC: 4-methoxybenzenecarboximidamide;hydrochloride
English name: 4-Methoxybenzamidine, hydrochloride
Molecular formula: C8H11ClN2O
Molecular weight: 186.64

Names & synonyms

4-Methoxybenzamidine hydrochlorideRefChem:524718808-172-651721-68-74-METHOXYBENZIMIDAMIDE HYDROCHLORIDEMFCD004661144-METHOXYBENZAMIDINE, HYDROCHLORIDE4-Methoxybenzamidine HCl4-METHOXY-BENZAMIDINE HYDROCHLORIDE4-methoxybenzene-1-carboximidamide hydrochlorideSCHEMBL25706654-methoxybenzenecarboximidamide;hydrochloride

Show more names

Albb-0069914-MethoxybenzamidineHCl4-ANISAMIDINE HYDROCHLORIDEp-Anisamidine hydrochloride4-METHOXYPHENYLAMIDINEHYDROCHLORIDE4-Methoxybenzamidine Hydrochloride >4-Methoxybenzamidine hydrochloride ,98%

p-methoxy-benzamidine hydrochlorideCS-10314M2612EN300-1158424-Methoxybenzamidine,hydrochloride4-MethoxybenzamidineHydrochCHEMBL2286472p-methoxybenzamidine hydrochloride

Database identifiers

CAS: 51721-68-7
PubChem CID: 12326219
DTXSID: DTXSID30489602
ChEMBL: CHEMBL2286472
EC Number: 808-172-6

Properties

Computed structural properties

Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 139

Physicochemical properties

Melting point: 218 · 218-220°C
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Water (Slightly)
form: Solid
color: White to Off-White
λmax: 261 nm · 261nm(H2O)(lit.)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT
HS Code: 2916310090 · 2916310090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

Safety data

hs_code: 2916310090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313