2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine

HCID 91697

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Basic information

CAS: 68298-46-4
Standard SMILES: CC1(C)Cc2cccc(N)c2O1
InChIKey: LMTIGABGABPAGU-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol
Monoisotopic mass: 163.09971404

Names & identifiers

Preferred name: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
IUPAC: 2,2-dimethyl-3H-1-benzofuran-7-amine
English name: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine68298-46-47-Amino-2,3-dihydro-2,2-dimethylbenzofuranDTXSID20447157-Benzofuranamine, 2,3-dihydro-2,2-dimethyl-EINECS 269-570-82,3-Dihydro-2,2-dimethyl-7-aminobenzofuranC3E03FDP2FDTXCID0024715(2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-7-YL)AMINERefChem:4412672,2-dimethyl-3H-1-benzofuran-7-amine

Show more names

2,3-Dihydro-2,2-dimethylbenzofuran-7-amine2,2-Dimethyl-2,3-dihydrobenzofuran-7-amineMFCD00075581UNII-C3E03FDP2F2,3-Dihydro-2,2-dimethyl-7-benzofuranamine7-Amino-2,2-dimethyl-2,3-dihydrobenzofuranSCHEMBL569823orb3029887

Database identifiers

CAS: 68298-46-4
PubChem CID: 91697
DTXSID: DTXSID2044715
ChEMBL: CHEMBL3185165
UNII: C3E03FDP2F
EC Number: 269-570-8
Nikkaji: J289.151D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 179

Experimental & physicochemical properties

Collision Cross Section135.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2044715]

Physicochemical properties

Boiling point: 60 °C · 60 °C(Press: 0.1 Torr)
Density: 1.086 · 1.086±0.06 g/cm3(Predicted)
pka: 4.68 · 4.68±0.40(Predicted)
FDA UNII: 3 E03FDP2F · C3E03FDP2F
EPA Substance Registry System: 7 · 7-Benzofuranamine, 2,3-dihydro-2,2-dimethyl- (68298-46-4)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.