CAS 2516-34-9 Cyclobutylamine (HCID 75645)

Names & identifiers

Preferred name: Cyclobutylamine
IUPAC: cyclobutanamine
English name: Cyclobutylamine
Molecular formula: C4H9N
Molecular weight: 71.12

Names & synonyms

CyclobutylamineCyclobutanamine2516-34-9Aminocyclobutane1-AminocyclobutaneHFH6FE5D4YDTXSID00870982RefChem:1082441DTXCID10818658219-736-0cyclobutaneaminecyclobutyl amine

Show more names

obutyLAURORA KA-7608Ring-butylaMine1-CyclobutanamineCyclobutylaMine 98%Cyclobutylamine,98%Cyclobutane-1-amine

cyclobutylaminMFCD00001328EINECS 219-736-0Cyclobutylamine, 98%UNII-HFH6FE5D4YPS-9374CS-0006656Q31190376

Database identifiers

CAS: 2516-34-9、6291-01-6
PubChem CID: 75645
DTXSID: DTXSID00870982
UNII: HFH6FE5D4Y
EC Number: 219-736-0
Nikkaji: J80.508D

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 30.6

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Melting point: 133 · 133-135.5 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
Boiling point: 81.5 °C752 · 81.5 °C752 mm Hg(lit.)
Density: 0.833 g/mL · 0.833 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.437(lit.)
Flash point: 24 °F · 24 °F
storage temp.: 2 · 2-8°C
pka: 10.8 · 10.80±0.20(Predicted)
form: Liquid
color: Clear colorless to light yellow
Water Solubility: slightly soluble
Sensitive: Hygroscopic
BRN: 2069297 · 2069297
InChI: 1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2
InChIKey: KZZKOVLJUKWSKX-UHFFFAOYSA-N
SMILES: NC1CCC1
CAS DataBase Reference: 2516 · 2516-34-9(CAS DataBase Reference)
FDA UNII: 6 FE5D4Y · HFH6FE5D4Y
NIST Chemistry Reference: Cyclobutylamine(2516-34-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: F,C,Xi
Risk Statements: 11 · 11-34-20/21/22-36/37/38
Safety Statements: 16 · 16-26-36/37/39-45-33-7/9
RIDADR: 2733 · UN 2733 3/PG 2
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29213000 · 29213000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Skin · Flam. Liq. 2Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (98%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2733 3/PG 2
hs_code: 29213000
risk_code: 11-34-20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C,Xi
safety_code: 16-26-36/37/39-45-33-7/9
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H314
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesCyclobutylamine is a substrate employed in a microwave-assisted synthesis of 7-azaindoles from dihalopyridines. Also it is a reactant in the preparation of imidazo[1,2-b]pyridazine derivatives as selective and orally available Mps1 (TTK) kinase inhibitors.

Preparation methods · 1 item

PreparationThe preparation of cyclobutylamine from cyclobutanecarboxylic acid and hydrazoic acid has been reported previously. Cyclobutylamine has also been prepared by the Hofmann-type rearrangement of cyclobutanecarboxamide. More recently it has been prepared in 82–87% overall yield from cyclobutanecarboxamide by oxidative rearrangement with lead tetraacetate or iodosobenzene diacetate.Synthesis of cyclobutylamine