1-(아미노에틸)아다만탄

Tricyclo(3.3.1.13,7)dec-1-ylmethylamine

HCID 86625CAS 17768-41-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC12CC3CC(CC(C3)C1)C2
InChIKey: XSOHXMFFSKTSIT-UHFFFAOYSA-N
분자식: C11H19N
평균 분자량: 165.27 g/mol
단동위원소 질량: 165.15174961

이름 및 식별자

우선 이름: Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
IUPAC: 1-adamantylmethanamine
현지명: 1-(아미노에틸)아다만탄
영어명: 1-Adamantanemethylamine
분자식: C11H19N
분자량: 165.28

이름 및 동의어

Tricyclo(3.3.1.13,7)dec-1-ylmethylamineEINECS 241-752-1NSC 285231DTXSID90170367Tricyclo[3.3.1.13,7]dec-1-ylmethylamineRefChem:899313DTXCID7092858241-752-11-Adamantanemethylamine17768-41-1adamantan-1-ylmethanamine1-Adamantylmethanamine

이름 더 보기

1-(아미노에틸)아다만탄1-아다만탄메틸아민1-ADMAMrz-2/16AKOS B014406AKOS BC-01961-ADAMANTYLMETHYLAMINE1-Adamantanemethanamine1-Adamentinemethylamine

1-(Aminomethyl)adamantane1-Aminomethyladamantane1-(aminomethyl)-adamantaneMFCD000747501-adamantanemethyl amineadamantylmethylamine1-(ADAMANTAN-1-YL)METHANAMINE1-adamantanmethyl amine

데이터베이스 식별자

CAS: 17768-41-1
PubChem CID: 86625
DTXSID: DTXSID90170367
ChEMBL: CHEMBL336585
EC Number: 241-752-1
Nikkaji: J82.677D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 83 · 83-85 °C/0.3 mmHg (lit.)
밀도: 0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5137(lit.)
인화점: 198 °F · 198 °F
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 액체
산도 계수 (pKa): 10.71 · 10.71±0.29(Predicted)
색상: 무색~담황색
InChI: 1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2/t8-,9+,10-,11-
InChIKey: XSOHXMFFSKTSIT-BIBSGERRSA-N
SMILES: NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
NIST: 1 · 1-Adamantanemethylamine(17768-41-1)

화학적 성질

clear colourless to very slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.6%)

안전 데이터

wgk: 3
ridadr: UN 2735
HS 번호: 29213000
risk_code: 34
hazard_code: Xi,C
safety_code: 24/25-45-36/37/39-27-26
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

일반 설명1-Adamantanemethylamine is a large amine present on the wall of 6,7-diaminoquinoxaline. The thermodynamic complex formation constant of 1-adamantanemethylamine was studied.