1-(Allyl)pyrrolidine-2-methylamine

HCID 117296

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Basic information

CAS: 26116-13-2
Standard SMILES: C=CCN1CCCC1CN
InChIKey: HTGKTSVPJJNEMQ-UHFFFAOYSA-N
Molecular formula: C8H16N2
Average molar mass: 140.23 g/mol
Monoisotopic mass: 140.13134852

Names & identifiers

Preferred name: 1-(Allyl)pyrrolidine-2-methylamine
IUPAC: (1-prop-2-enylpyrrolidin-2-yl)methanamine
English name: 1-(allyl)pyrrolidine-2-methylamine
Molecular formula: C8H16N2
Molecular weight: 140.23

Names & synonyms

1-(Allyl)pyrrolidine-2-methylamineEINECS 247-467-9RefChem:426935247-467-9(1-Allylpyrrolidin-2-yl)methanamine26116-13-2(1-prop-2-enylpyrrolidin-2-yl)methanamine66411-51-61-Allyl-2-(aminomethyl)pyrrolidineMFCD013175592-Pyrrolidinemethanamine, 1-(2-propen-1-yl)-N-Allyl-2-(aminomethyl)pyrrolidne

Show more names

ALLYL-1-AMINOMETHYLPYRROLIDINE1-(2-Propenyl)-2-pyrrolidinemethanamine

(S)-1-Allyl-2-Aminomethylpyrrolidine1-[1-(PROP-2-EN-1-YL)PYRROLIDIN-2-YL]METHANAMINESCHEMBL5804458SCHEMBL11445454DTXSID809490041-allyl-2-aminomethyl-pyrrolidineAKOS011670902FS-5993

Database identifiers

CAS: 26116-13-2
PubChem CID: 117296
DTXSID: DTXSID80949004
EC Number: 247-467-9
Nikkaji: J308.390J

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 194.6 · 194.6±13.0 °C(Predicted)
Density: 0.912 · 0.912±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.91 · 9.91±0.29(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, 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.