아미노메틸시클로헥산

Cyclohexanemethylamine

HCID 76688CAS 3218-02-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC1CCCCC1
InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
분자식: C7H15N
평균 분자량: 113.2 g/mol
단동위원소 질량: 113.12044948

이름 및 식별자

우선 이름: Cyclohexanemethylamine
IUPAC: cyclohexylmethanamine
현지명: 아미노메틸시클로헥산
영어명: (Aminomethyl)cyclohexane
분자식: C7H15N
분자량: 113.2

이름 및 동의어

CyclohexanemethylamineCyclohexylmethanamine3218-02-8Aminomethylcyclohexane(Aminomethyl)cyclohexaneCyclohexanemethanamineEINECS 221-741-8NSC 172991BRN 0635751DTXSID101859584-12-00-00123 (Beilstein Handbook Reference)RefChem:580596

이름 더 보기

(아미노메틸)사이클로헥세인(아미노메틸)시클로헥산RARECHEM AL BW 0122HEXAHYDROBENZYLAMINE1-CyclohexanemethanamineCyclohexanemethylamine,98%

DTXCID50108449221-741-8cyclohexylmethanaminium1-Cyclohexylmethanamine1-cyclohexylmethylamineMFCD00001520C-Cyclohexyl-methylamineCHEMBL1049

데이터베이스 식별자

CAS: 3218-02-8
PubChem CID: 76688
DTXSID: DTXSID10185958
ChEMBL: CHEMBL1049
EC Number: 221-741-8
Nikkaji: J48.566G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 55.4

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: -8 °C · -8°C
끓는 점: 159 · 159-161 °C (lit.)
밀도: 0.87 g/mL · 0.87 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 110 °F · 110 °F
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 액체
산도 계수 (pKa): 10.42 · 10.42±0.29(Predicted)
색상: 무색투명~미황색
수용성: 물에 약간 용해됩니다.
BRN: 635751 · 635751
InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
SMILES: C1(CN)CCCCC1
NIST: 6 H11CH2NH2 · c-C6H11CH2NH2(3218-02-8)

화학적 성질

Clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
rtecs: GV6128000
ridadr: UN 2734 8/PG 2
HS 번호: 29213099
risk_code: 10-34
hazard_code: C
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Cyclohexanemethylamine was used in the synthesis of Schiff′s base ligand, 4-methyl-2,6-bis(cyclohexylmethyliminomethyl)-phenol, which forms hexanuclear zinc(II) complexes. Cyclohexanemethylamine was used during the synthesis of 1-acyl-4 cycloalkyl/arylsemicarbazides and 1-acyl-5-benzyloxy/hydroxyl carbamoylcarbazides from the nonsteroidal anti-inflammatory drugs.