CAS 1125-01-5 3-Azaspiro(5.5)undecane hydrochloride (HCID 417412)

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Basic information

CAS: 1125-01-5
Standard SMILES: C1CCC2(CC1)CCNCC2
InChIKey: LIZKZVQBLDHKCY-UHFFFAOYSA-N
Molecular formula: C10H19N
Average molar mass: 153.26 g/mol
Monoisotopic mass: 153.15174961

Names & identifiers

Preferred name: 3-Azaspiro(5.5)undecane hydrochloride
IUPAC: 3-azaspiro[5.5]undecane
English name: 3-AZASPIRO[5.5]UNDECANE
Molecular formula: C10H19N
Molecular weight: 153.26

Names & synonyms

3-azaspiro[5.5]undecaneEINECS 214-404-1DTXSID101347214NSC 90790NSC 1025143-azaspiro(5.5)undecaneRefChem:497867DTXCID801775925214-404-1815-371-13-Azaspiro(5.5)undecane HCl3-azaspiro(5.5)undecane hydrochloride

Show more names

4,4-Pentamethylenepiperidine hydrochloride3-Azaspiro[5.5]undecane (7CI, 8CI, 9CI, ACI)

3-azaspiro[5.5]undecane hydrochloride180-44-93-aza-spiro[5.5]undecaneMFCD000115723-Azaspiro[5.5]undecane hydrochloride salt3-Azaspiro[5,5]undecane3-azaspiro-[5.5]undecane4,4-pentamethylenepiperidine

Database identifiers

CAS: 1125-01-5、180-44-9
PubChem CID: 417412
DTXSID: DTXSID101347214
ChEMBL: CHEMBL2041319、CHEMBL2078948
EC Number: 214-404-1、815-371-1
Nikkaji: J2.747.209E

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 117

Physicochemical properties

Boiling point: 223.2 · 223.2±8.0 °C(Predicted)
Density: 0.93 · 0.93±0.1 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
form: White solid.
pka: 11.17 · 11.17±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.

Warning

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