1-Pyrrolidinamine

HCID 27946

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 16596-41-1
Standard SMILES: NN1CCCC1
InChIKey: SBMSLRMNBSMKQC-UHFFFAOYSA-N
Molecular formula: C4H10N2
Average molar mass: 86.14 g/mol
Monoisotopic mass: 86.08439832

Names & identifiers

Preferred name: 1-Pyrrolidinamine
IUPAC: pyrrolidin-1-amine
English name: 1-AMINOPYRROLIDINE
Molecular formula: C4H10N2
Molecular weight: 86.14

Names & synonyms

1-Aminopyrrolidine1-PyrrolidinamineN-AminopyrrolidinePyrrolidine, 1-amino-pyrrolidylaminepyrrolidin-1-ylamineDF424U7HM6NSC 80647NSC-80647DTXSID40168052Pyrrolidine, 1aminoRefChem:77205

Show more names

1-AMINO TETRAHYDROPYRROLEpyrrolidin-1-aMine hydrochloride

DTXCID5090543630-631-2SBMSLRMNBSMKQC-UHFFFAOYSA-Npyrrolidin-1-amine16596-41-1aminopyrrolidineMFCD07368381NSC80647

Database identifiers

CAS: 16596-41-1
PubChem CID: 27946
DTXSID: DTXSID40168052
UNII: DF424U7HM6
EC Number: 630-631-2
Nikkaji: J38.368F

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 38.8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical DescriptionLiquid; Sensitive to air; [Aldrich MSDS]

Physicochemical properties

Boiling point: 53 °C · 53 °C(Press: 40 Torr)
Density: 0.986 · 0.986±0.06 g/cm3(Predicted)
refractive index: 1.47 · 1.47
form: clear liquid
pka: 8.19 · 8.19±0.20(Predicted)
color: Colorless to Light yellow
CAS DataBase Reference: 16596 · 16596-41-1(CAS DataBase Reference)
FDA UNII: 424 U7HM6 · DF424U7HM6
Symbol(GHS): 5 · GHS05,GHS02
Signal word: Danger
Hazard statements: 314 · H314-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
HS Code: 2933.99 · 2933.99.9701

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

hs_code: 2933.99.9701
Signal word: Danger
Symbol(GHS): GHS05,GHS02
Hazard statements: H314-H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Applications

UsesPodophyllin is a resin extracted from the root of the plant Podophyllum sp. Berberidaceae (mandrake), which contains numerous compounds, among which podophyllotoxin.