아미노시클로부탄

Cyclobutylamine

HCID 75645CAS 2516-34-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CCC1
InChIKey: KZZKOVLJUKWSKX-UHFFFAOYSA-N
분자식: C4H9N
평균 분자량: 71.12 g/mol
단동위원소 질량: 71.07349929

이름 및 식별자

우선 이름: Cyclobutylamine
IUPAC: cyclobutanamine
현지명: 아미노시클로부탄
영어명: Cyclobutylamine
분자식: C4H9N
분자량: 71.12

이름 및 동의어

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

이름 더 보기

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

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 30.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: 133 · 133-135.5 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
끓는 점: 81.5 °C752 · 81.5 °C752 mm Hg(lit.)
밀도: 0.833 g/mL · 0.833 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.437(lit.)
인화점: 24 °F · 24 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.8 · 10.80±0.20(Predicted)
물리적 상태: 액체
색상: 무색투명~연황색
수용성: 약간 용해됨
BRN: 2069297 · 2069297
InChI: 1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2
InChIKey: KZZKOVLJUKWSKX-UHFFFAOYSA-N
SMILES: NC1CCC1
NIST: Cyclobutylamine(2516-34-9)

화학적 성질

Clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 2733 3/PG 2
HS 번호: 29213000
risk_code: 11-34-20/21/22-36/37/38
hazard_code: F,C,Xi
safety_code: 16-26-36/37/39-45-33-7/9
포장분류: II
위험 등급: 3
기존화학 물질: KE-09130
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Cyclobutylamine 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.

제조 방법 · 1건

The 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