4-(Pyrrolidin-1-yl)butan-1-amine

HCID 2762762CAS 24715-90-0

Substructure search Find similar structures

Basic information

Standard SMILES: NCCCCN1CCCC1
InChIKey: LSDYCEIPEBJKPT-UHFFFAOYSA-N
Molecular formula: C8H18N2
Average molar mass: 142.24 g/mol
Monoisotopic mass: 142.14699858

Names & identifiers

Preferred name: 4-(Pyrrolidin-1-yl)butan-1-amine
IUPAC: 4-pyrrolidin-1-ylbutan-1-amine
English name: 4-(Pyrrolidin-1-yl)butan-1-amine
Molecular formula: C8H18N2
Molecular weight: 142.24

Names & synonyms

24715-90-04-(pyrrolidin-1-yl)butan-1-amineDTXSID90376428RefChem:289434DTXCID50327456679-137-91-Pyrrolidinebutanamine4-(1-PYRROLIDINO)BUTYLAMINE4-(1-Pyrrolidinyl)-1-butanamine4-pyrrolidin-1-ylbutan-1-amine4-Pyrrolidinobutylamine1-(4-Aminobutyl)pyrrolidine

Show more names

RARECHEM AL BW 0242TIMTEC-BB SBB010289PYRROLIDINOBUTYLAMINE4-PyrrolidinbutylaMine1-Pyrrolidinebutan-1-amine1-(4-AMINOBUTYL)PYRROLIDONE

MFCD00192591(4-Pyrrolidin-1-ylbutyl)amineSCHEMBL378444AKOS0001517544-pyrrolidinylbutylamineSY1221444-(1-Pyrrolidinyl)-1-Butylamine1-Pyrrolidinebutylamine

Database identifiers

CAS: 24715-90-0
PubChem CID: 2762762
DTXSID: DTXSID90376428
EC Number: 679-137-9
Nikkaji: J25.979I

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 77.3

Physicochemical properties

Boiling point: 97 °C · 97°C 15mm
Density: 0.923 · 0.923±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 10.48 · 10.48±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Water Solubility: Soluble in water
Sensitive: Air Sensitive
CAS DataBase Reference: 24715 · 24715-90-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · 2735
HazardClass: 8 · 8
PackingGroup: III
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (96%): 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 25 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (96%)

Safety data

ridadr: 2735
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H314-H318
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses4-(1-Pyrrolidinyl)-1-butanamine is a useful reagent used in the preparation of imidazolidinedione derivatives used as antimalarial agents. A building block for organic synthesis.