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  2. 693-16-3
octan-2-amine | 693-16-3

Product name:octan-2-amine

CAS No:693-16-3
MF:C8H19N
MW:129.2432
MDL:MFCD00008103
CID:39556
PubChem ID:12735
Names and Identifiers
  • Octan-2-amine
  • (+/-)-2-Aminooctane
  • (+/-)-1-Methylheptylamine~(+/-)-2-Octylamine
  • 1-Methylheptylamine
  • 2-Aminooctane
  • (n)-2-aminooctane
  • 1-methyl-heptylamin
  • 2-AMINO-N-OCTANE
  • 2-amino-octane
  • 2-caprylamine
  • 2-Octanamine
  • 2-OCTYLAMINE
  • rac-2-aminooctane
  • SEC-CAPRYLAMIE
  • SEC-OCTYLAMINE
  • Isooctylamine
  • 1-methyl-heptylamine
  • Heptylamine, 1-methyl-
  • 1-methyl heptylamine
  • oct-2-ylamine
  • HBXNJMZWGSCKPW-UHFFFAOYSA-N
  • (S)-Octan-2-amine
  • (R)-Octan-2-amine
  • sec-Octanamine
  • NSC76546
  • racemic 2-octylamine
  • 1-methylheptyl amine
  • DL-2-AMINOOCTANE
  • 1-Amino-1-methyl heptane
  • 2-Oct
  • sec-Octylamine
  • octan-2-amine
  • 2-Octylamine
  • SB45081
  • NS00036830
  • FT-0605044
  • 2-Caprylamine
  • BS-42239
  • BRN 1719318
  • 693-16-3
  • SB45078
  • NSC 76546
  • Q5651241
  • EINECS 211-744-2
  • D03DJ7LZBE
  • (?)-2-Aminooctane
  • UNII-D03DJ7LZBE
  • (+/-)-2-AMINOOCTANE
  • (RS)-2-OCTYLAMINE
  • CS-0454973
  • SCHEMBL221810
  • (+/-)-2-OCTANAMINE
  • AMY21971
  • Z104477186
  • AKOS016843915
  • M0337
  • EN300-20180
  • 2-Octanamine, (.+/-.)-
  • FT-0611256
  • 1-METHYLHEPTYLAMINE
  • MFCD00008103
  • AKOS000120228
  • DTXSID4022103
  • (+/-)-2-OCTYLAMINE
  • (RS)-1-METHYLHEPTYLAMINE
  • NSC-76546
  • AI3-11521
  • FT-0605251
  • MDL:MFCD00008103
  • InChIKey:HBXNJMZWGSCKPW-UHFFFAOYSA-N
  • Inchi:1S/C8H19N/c1-3-4-5-6-7-8(2)9/h8H,3-7,9H2,1-2H3
  • SMILES:N([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
  • BRN:1719318
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 129.15200
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 5
  • Monoisotopic Mass: 129.152
  • Heavy Atom Count: 9
  • Complexity: 52.5
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.6
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 26

Experimental Properties

  • LogP: 3.00430
  • PSA: 26.02000
  • Refractive Index: n20/D 1.4235(lit.)
  • Boiling Point: 165°C(lit.)
  • Melting Point: 11.43°C (estimate)
  • Flash Point: 123 °F
  • Color/Form: colorless liquid
  • Solubility: Soluble in ethanol and ether, insoluble in water.
  • Sensitiveness: Air Sensitive
  • Density: 0.771 g/mL at 25 °C(lit.)
Security Information
  • Symbol: GHS02 GHS05 GHS06
  • RTECS:MK1210000
  • WGK Germany:3
  • Safety Term:8
  • Safety Instruction:S26-S36/37/39-S45
  • Packing Group:II
  • Packing Group:II
  • Risk Phrases:R10; R36/37/38
  • Hazard Level:8
  • Dangerous goods sign: Xi Xi
  • Hazardous Material transportation number:UN 2734 8/PG 2
  • Hazard Statement:H226-H301-H314
  • Warning Statement:P210-P233-P240-P241+P242+P243-P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
  • Prompt:dangerous
  • Storage Condition:Flammable area
  • PackingGroup:II
  • Hazard Category Code:10-22-34
  • HazardClass:8
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