1-Aminohomopiperidine

HCID 22198

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Basic information

CAS: 5906-35-4
Standard SMILES: NN1CCCCCC1
InChIKey: UGBKOURNNQREPE-UHFFFAOYSA-N
Molecular formula: C6H14N2
Average molar mass: 114.19 g/mol
Monoisotopic mass: 114.11569845

Names & identifiers

Preferred name: 1-Aminohomopiperidine
IUPAC: azepan-1-amine
English name: 1-Aminohomopiperidine
Molecular formula: C6H14N2
Molecular weight: 114.19

Names & synonyms

azepan-1-amine1-Aminohomopiperidine5906-35-41H-Azepin-1-amine, hexahydro-N-AminohexamethylenimineN-Aminohomopiperidine1,1-HexamethylenehydrazineN-Aminohexamethyleneimine1-Aminoperhydroazepine1-Aminohexahydroazepine1-Aminohexahydro-1H-azepine1-Aminohexamethyleneimine

Show more names

1-Azepanamineazepan-1-ylamineAminohomopiperidineN-AMINOHOMOPIPERDINE1-aminoazacycloheptane

AminohexamethyleneimineHexahydro-1H-azepin-1-amine1-AminoazepanePerhydroazepin-1-ylamine1H-Azepine, 1-aminohexahydro-MFCD00003260NSC 82329EINECS 227-609-6

Database identifiers

CAS: 5906-35-4
PubChem CID: 22198
DTXSID: DTXSID2073358
UNII: P6ST24BC3C
EC Number: 227-609-6
Nikkaji: J47.798B

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 55.5

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear slightly yellow liquid; [MSDSonline]

Physicochemical properties

Melting point: 86 · 86.0-86.5 °C
Boiling point: 165 °C · 165 °C (lit.)
Density: 0.984 g/mL · 0.984 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.485(lit.)
Flash point: 133 °F · 133 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 8.19 · 8.19±0.20(Predicted)
form: Oil
color: Colourless
CAS DataBase Reference: 5906 · 5906-35-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 ST24BC3C · P6ST24BC3C
EPA Substance Registry System: 1 H-Azepin-1-amine, · 1H-Azepin-1-amine, hexahydro- (5906-35-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
RTECS: 3165000 · CM3165000
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.