1-에티닐시클로헥실아민

1-Ethynylcyclohexylamine

HCID 121691CAS 30389-18-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#CC1(N)CCCCC1
InChIKey: GDKOYYDQISQOMH-UHFFFAOYSA-N
분자식: C8H13N
평균 분자량: 123.2 g/mol
단동위원소 질량: 123.10479942

이름 및 식별자

우선 이름: 1-Ethynylcyclohexylamine
IUPAC: 1-ethynylcyclohexan-1-amine
현지명: 1-에티닐시클로헥실아민
영어명: 1-Ethynylcyclohexylamine
분자식: C8H13N
분자량: 123.2

이름 및 동의어

1-Ethynylcyclohexylamine30389-18-5Cyclohexanamine, 1-ethynyl-1-ethynylcyclohexan-1-amineEINECS 250-172-8Z445AV6Q6J1-AMINO-1-ETHYNYLCYCLOHEXANEDTXSID50675541-ETHYNYL-1-AMINOCYCLOHEXANERefChem:432736DTXCID9038189250-172-8

이름 더 보기

1-에티닐시클로헥실아민CBI-BB ZERO/0055041-ethynyl-cyclohexanamin1-Ethynylcyclohexylamine 98%Cyclohexanamine, 1-ethynyl- (9CI)

1-ethynylcyclohexanamineMFCD00001489Cyclohexanamine,1-ethynyl-1-Ethynyl-cyclohexylamine1-ethynylcyclohexaneamine1-ethynylcyclohexyl amine1-ethinyl-cyclohexyl-amineUNII-Z445AV6Q6J

데이터베이스 식별자

CAS: 30389-18-5
PubChem CID: 121691
DTXSID: DTXSID5067554
UNII: Z445AV6Q6J
EC Number: 250-172-8
Nikkaji: J249.980K

물성

구조 계산 물성

XLogP: 1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 134

물리화학적 성질

끓는 점: 65 · 65-66 °C20 mm Hg(lit.)
밀도: 0.913 g/mL · 0.913 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.482(lit.)
인화점: 108 °F · 108 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 7.76 · 7.76±0.70(Predicted)
물리적 상태: liquid
InChI: 1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2
InChIKey: GDKOYYDQISQOMH-UHFFFAOYSA-N
SMILES: NC1(CCCCC1)C#C
EPA: 1 · Cyclohexanamine, 1-ethynyl- (30389-18-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (97.7%): Flammable liquid and vapor [Warning 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
HS 번호: 29213000
risk_code: 10-34
hazard_code: C
safety_code: 16-26-27-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationCyclohexanamine, 1-ethynyl-: ACTIVE

응용 분야

용도1-Ethynylcyclohexylamine was used in the synthesis of bicyclic and tetracyclic compounds. It was also used as a substrate in the reaction of a series of alkynes with mercury(II)acetate.