CAS 81816-60-6 6-Methoxychroman-4-amine (HCID 12792148)

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Basic information

CAS: 81816-60-6
Standard SMILES: COc1ccc2c(c1)C(N)CCO2
InChIKey: APTWFKUWDZQXHL-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: 6-Methoxychroman-4-amine
IUPAC: 6-methoxy-3,4-dihydro-2H-chromen-4-amine
English name: 6-methoxychroman-4-amine
Molecular formula: C10H13NO2
Molecular weight: 179.21572

Names & synonyms

6-methoxychroman-4-amine81816-60-66-methoxy-3,4-dihydro-2H-chromen-4-amineMFCD073740706-methoxy-3,4-dihydro-2H-1-benzopyran-4-amine6-methoxychroman-4-ylamineSCHEMBL1239052DTXSID90510002APTWFKUWDZQXHL-UHFFFAOYSA-NAKOS002674555AKOS016042432AB38671

Show more names

3,4-Dihydro-6-methoxy-2H-1-benzopyran-4-amine

AB38673AB38676AC-31649DB-026403CS-0456007EN300-84064I11419F216451

Database identifiers

CAS: 81816-60-6
PubChem CID: 12792148
DTXSID: DTXSID90510002

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 270 ℃ · 270℃
Density: 1.128 · 1.128
Flash point: 127 ℃ · 127℃
storage temp.: 2 · 2-8°C
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501