CAS 3312-60-5 N-Cyclohexyl-1,3-propanediamine (HCID 18718)

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Basic information

CAS: 3312-60-5
Standard SMILES: NCCCNC1CCCCC1
InChIKey: ITZPOSYADVYECJ-UHFFFAOYSA-N
Molecular formula: C9H20N2
Average molar mass: 156.27 g/mol
Monoisotopic mass: 156.16264864

Names & identifiers

Preferred name: N-Cyclohexyl-1,3-propanediamine
IUPAC: N'-cyclohexylpropane-1,3-diamine
English name: N-(3-AMINOPROPYL)CYCLOHEXYLAMINE
Molecular formula: C9H20N2
Molecular weight: 156.27

Names & synonyms

N-(3-Aminopropyl)cyclohexylamine3312-60-5N-CYCLOHEXYL-1,3-PROPANEDIAMINE1,3-Propanediamine, N-cyclohexyl-N-Cyclohexyl-1,3-propylenediamine3-(Cyclohexylamino)-1-propylamine1-(Cyclohexylamino)-3-aminopropaneN-Cyclohexylpropylene 1,3-diamineF4XOB09FKNNSC-87572DTXSID6062969RefChem:161932

Show more names

APCHARARECHEM AL BW 0425CYCLOHEXYLPROPYLENEDIAMINE3-CyclohexylaminopropylaminN-Cyclohexyl-1,3-propanediame3-AMINOCYCLOHEXYLAMINOPROPANEn-cyclohexyl-3-propanediamine3-(Aminopropyl)cyclohexylamine

3-APCHADTXCID9038636222-001-7N1-cyclohexylpropane-1,3-diamine3-CyclohexylaminopropylamineN'-cyclohexylpropane-1,3-diamineCyclohexyl-1,3-propanediamineMFCD00003838

Database identifiers

CAS: 3312-60-5
PubChem CID: 18718
DTXSID: DTXSID6062969
UNII: F4XOB09FKN
EC Number: 222-001-7
Nikkaji: J47.452E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 87.6

Physicochemical properties

Melting point: 17 · −17-−15 °C(lit.)
Boiling point: 120 · 120-123 °C20 mm Hg(lit.)
Density: 0.917 g/mL · 0.917 g/mL at 25 °C(lit.)
vapor pressure: 4.7 Pa · 4.7Pa at 20℃
refractive index: 20 · n20/D 1.482(lit.)
Flash point: 214 °F · 214 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 11 · 11.00±0.20(Predicted)
color: Colorless to Light yellow to Light orange
Water Solubility: 5000 g/L · 5000g/L at 20℃
Sensitive: Air Sensitive
BRN: 741954 · 741954
InChI: 1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
InChIKey: ITZPOSYADVYECJ-UHFFFAOYSA-N
SMILES

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.5% (5 of 197) of reports.

Danger

H301+H311 (52.8%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 197 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: 1,3-Propanediamine, N-cyclohexyl-

1,3-Propanediamine, N1-cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-cyclohexyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/29569

1,3-Propanediamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (54.3%)