2,3-Dihydro-1-benzofuran-5-ylmethanamine

HCID 2735367

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Basic information

CAS: 55745-74-9
Standard SMILES: NCc1ccc2c(c1)CCO2
InChIKey: WQXWNTPLZFVZNX-UHFFFAOYSA-N
Molecular formula: C9H11NO
Average molar mass: 149.19 g/mol
Monoisotopic mass: 149.08406397

Names & identifiers

Preferred name: 2,3-Dihydro-1-benzofuran-5-ylmethanamine
IUPAC: 2,3-dihydro-1-benzofuran-5-ylmethanamine
English name: 5-(AMINOMETHYL)-2,3-DIHYDROBENZO[B]FURAN
Molecular formula: C9H11NO
Molecular weight: 149.19

Names & synonyms

2,3-dihydro-1-benzofuran-5-ylmethanamineRefChem:442204672-985-055745-74-95-(Aminomethyl)-2,3-dihydrobenzo[b]furan(2,3-Dihydrobenzofuran-5-yl)methanamine1-(2,3-dihydro-1-benzofuran-5-yl)methanamineMFCD007288692,3-dihydro-benzofuran-5-ylmethylamine2,3-dihydrobenzo[b]furan-5-ylmethylamine2,3-dihydrobenzofuran-5-ylmethanamine5-aminomethyl-2,3-dihydrobenzo[b]furan

Show more names

Compound Fr14131BUTTPARK 36\04-11RARECHEM AL BW 18955-Benzofuranmethanamine, 2,3-dihydro-C-2,3-DIHYDROBENZOFURAN-5-YLMETHYLAMINE2,3-Dihydrobenzo[b]furane-5-ylmethylamineHCl

(2,3-dihydro-1-benzofuran-5-yl)methanamineVXQSDCCGMLS-0065908.P0015-aminomethyl-2,3-dihydroSCHEMBL448730orb3170175DTXSID00971120WQXWNTPLZFVZNX-UHFFFAOYSA-N

Database identifiers

CAS: 55745-74-9
PubChem CID: 2735367
DTXSID: DTXSID00971120
EC Number: 672-985-0

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 251 · 251-254°C
Boiling point: 98 · 98-100/0.1mm
Density: 1.151 · 1.151±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
form: solid
pka: 9.61 · 9.61±0.29(Predicted)
color: Yellow
CAS DataBase Reference: 55745 · 55745-74-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-51-22
Safety Statements: 26 · 26-36/37/39-24/25
Hazard Note: Irritant
HS Code: 29321900 · 29321900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.