CAS 17734-20-2 6-Phenylhexan-1-amine (HCID 145558)

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Basic information

CAS: 17734-20-2
Standard SMILES: NCCCCCCc1ccccc1
InChIKey: ZSXRNISZKBBQRN-UHFFFAOYSA-N
Molecular formula: C12H19N
Average molar mass: 177.29 g/mol
Monoisotopic mass: 177.15174961

Names & identifiers

Preferred name: 6-Phenylhexan-1-amine
IUPAC: 6-phenylhexan-1-amine
English name: 6-PHENYLHEXYLAMINE
Molecular formula: C12H19N
Molecular weight: 177.29

Names & synonyms

6-phenylhexan-1-amineRefChem:544282842-071-86-Phenylhexylamine17734-20-2BenzenehexanamineDTXSID60276401MFCD073696356-Phenyl-1-hexanamineHexylamine, 6-phenyl-N-phenylhexylamineN-(phenyl)hexylamine

Show more names

6-Phenylhexane-1-amine6-Phenylhexylamine Discontinued see: P329051

6-Phenyl-1-hexanamine #SCHEMBL133038SCHEMBL133039SCHEMBL3587599SCHEMBL3598070SCHEMBL7352914SCHEMBL27478848AKOS013465661

Database identifiers

CAS: 17734-20-2
PubChem CID: 145558
DTXSID: DTXSID60276401
EC Number: 842-071-8
Nikkaji: J129.820H

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 106

Physicochemical properties

Boiling point: 144 · 144-146 °C(Press: 13 Torr)
Density: 0.923 · 0.923±0.06 g/cm3(Predicted)
solubility: Dichloromethane, Ethyl Acetate, Methanol
form: Oil
pka: 10 · 10+-.0.10(Predicted)
color: Yellowish
CAS DataBase Reference: 17734 · 17734-20-2
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501