3-Aminopyrrolidine

HCID 164401

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Basic information

CAS: 79286-79-6
Standard SMILES: NC1CCNC1
InChIKey: NGXSWUFDCSEIOO-UHFFFAOYSA-N
Molecular formula: C4H10N2
Average molar mass: 86.14 g/mol
Monoisotopic mass: 86.08439832

Names & identifiers

Preferred name: 3-Aminopyrrolidine
IUPAC: pyrrolidin-3-amine
English name: 3-Aminopyrrolidine
Molecular formula: C4H10N2
Molecular weight: 86.14

Names & synonyms

3-Aminopyrrolidine79286-79-6Pyrrolidin-3-ylamineDTXSID70276538RefChem:93005DTXCID00227811672-741-3NGXSWUFDCSEIOO-UHFFFAOYSA-Npyrrolidin-3-amine3-PyrrolidinamineMFCD00059018pyrrolidine-3-amine

Show more names

4-Amino Pyrrolidine3-PyrrolidinylamineRRR-α-Tocopherolum-d63-Aminopyrrolidine >3-AMINOPYRROLIDINE 98+%

3aminopyrrolidine3-amino-pyrrolidine3-Pyrrolidinamine #pyrrolidine-3-ylamine(3RS)-3-aminopyrrolidine(+/-)-3-Aminopyrrolidine(3S)-(-)-AminopyrrolidineSCHEMBL145312

Database identifiers

CAS: 79286-79-6
PubChem CID: 164401
DTXSID: DTXSID70276538
UNII: 3QP4A8C29R
EC Number: 672-741-3
Nikkaji: J207.969K

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 44.8

Physicochemical properties

Boiling point: 159 · 159-160 °C
Density: 0.98 · 0.98
refractive index: 1.488 · 1.4880-1.4910
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 9.94 · 9.94±0.20(Predicted)
color: Colorless to Almost colorless
Specific Gravity: 0.98 · 0.98
CAS DataBase Reference: 79286 · 79286-79-6(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 227 · H227-H314
Precautionary statements: 210 · P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
RIDADR: 2735 · 2735
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29339900 · 29339900
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

ridadr: 2735
hs_code: 29339900
risk_code: 22-37/38-41
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xn
safety_code: 26-39
hazard_class: IRRITANT
packing_group: III
Hazard statements: H227-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501