CAS 959238-03-0 3-(2-Methylpropyl)pyrrolidine (HCID 22975332)

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Basic information

CAS: 959238-03-0
Standard SMILES: CC(C)CC1CCNC1
InChIKey: HIYDGLLISXSAIC-UHFFFAOYSA-N
Molecular formula: C8H17N
Average molar mass: 127.23 g/mol
Monoisotopic mass: 127.13609954

Names & identifiers

Preferred name: 3-(2-Methylpropyl)pyrrolidine
IUPAC: 3-(2-methylpropyl)pyrrolidine
English name: 3-ISOBUTYLPYRROLIDINE
Molecular formula: C8H17N
Molecular weight: 127.23

Names & synonyms

959238-03-03-(2-methylpropyl)pyrrolidineDTXSID00629275RefChem:273847DTXCID90580028860-793-13-ISOBUTYLPYRROLIDINEMFCD07383547Pyrrolidine, 3-(2-methylpropyl)-3-Isobutylpyrrolidine hydrochlorideSCHEMBL1517055SCHEMBL1517058

Show more names

3-isobutylpyrrolidine(SALTDATA: FREE)

SCHEMBL1691632SCHEMBL1994090SCHEMBL27929788HIYDGLLISXSAIC-UHFFFAOYSA-N(3R)-3-ISOBUTYLPYRROLIDINE(3S)-3-ISOBUTYLPYRROLIDINE1260619-51-9ALBB-013351

Database identifiers

CAS: 959238-03-0
PubChem CID: 22975332
DTXSID: DTXSID00629275
EC Number: 860-793-1

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 78.6

Physicochemical properties

Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26
hazard_class: IRRITANT
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501