4-Methoxybenzenecarboximidamide

HCID 229074CAS 22265-37-8

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C(=N)N)cc1
InChIKey: CSISQILZUHMAJB-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931294

Names & identifiers

Preferred name: 4-Methoxybenzenecarboximidamide
IUPAC: 4-methoxybenzenecarboximidamide
English name: 4-Methoxybenzamidine for fluorescence
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

22265-37-84-methoxybenzenecarboximidamideDTXSID20281672RefChem:293981DTXCID202328264-Methoxybenzimidamide4-Methoxy-benzamidine4-Methoxybenzamidine4-methoxybenzene-1-carboximidamideMFCD00029547CHEMBL31388444-methoxybenzenecarboxamidine

Show more names

Benzenecarboximidamide, 4-methoxy-4-Methoxybenzamidine for fluorescence4-METHOXYBENZAMIDINE FOR FLUORESCENCE 97+%

4-Methoxyl-benzamidine4-(Methyloxy)benzenecarboximidamideP-AnisamidineSCHEMBL428892SCHEMBL7114596SCHEMBL23235849SCHEMBL28022989PDK0249

Database identifiers

CAS: 22265-37-8
PubChem CID: 229074
DTXSID: DTXSID20281672
ChEMBL: CHEMBL3138844
EC Number: 622-603-3
Nikkaji: J900.530G

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Physicochemical properties

Melting point: 120 · 120-124 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
BRN: 637173 · 637173
InChI: 1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
InChIKey: CSISQILZUHMAJB-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C(N)=N
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3263 · UN 3263 8/PG 3
WGK Germany: 3 · 3
F: 10 · 10-34
Storage Class: 8 B · 8B - Non-combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-34
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 3263 8/PG 3
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
Storage Class: 8B - Non-combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310

Chemistry & industry

Applications

UsesReagent for the determination of reducing carbohydrates and glycoproteins by postcolumn derivatization after HPLC; A method using benzamidine should be improved by this reagent