(1-페닐사이클로펜틸)메틸아민

(1-Phenylcyclopentyl)methanamine

HCID 205131CAS 17511-89-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC1(c2ccccc2)CCCC1
InChIKey: SJWOFBVBNFLWLP-UHFFFAOYSA-N
분자식: C12H17N
평균 분자량: 175.27 g/mol
단동위원소 질량: 175.13609955

이름 및 식별자

우선 이름: (1-Phenylcyclopentyl)methanamine
IUPAC: (1-phenylcyclopentyl)methanamine
현지명: (1-페닐사이클로펜틸)메틸아민
영어명: (1-PHENYLCYCLOPENTYL)METHYLAMINE
분자식: C12H17N
분자량: 175.27

이름 및 동의어

(1-phenylcyclopentyl)methanamine1-(1-PHENYLCYCLOPENTYL)METHANAMINE1-Phenylcyclopentanemethanamine1-(1-phenylcyclopentyl)methylamineCyclopentanemethanamine, 1-phenyl-C-(1-Phenyl-cyclopentyl)-methylamine1-METHYLAMINE-1-BENZYL-CYCLOPENTANECyclopentanemethylamine, 1-phenyl-BRN 2936636UNII-03L0BL8FBICHEBI:39505DTXSID90169933

이름 더 보기

(1-페닐사이클로펜틸)메틸아민(1-phenylcyclopentyl)methanamine hydrochloride1-(1-phenylcyclopentyl)methanamine(SALTDATA: FREE)

4-12-00-02971 (Beilstein Handbook Reference)RefChem:68140DTXCID3092424843-912-117511-89-6(1-phenylcyclopentyl)methylamine1-PhenylcyclopentanemethylamineMFCD00995874

데이터베이스 식별자

CAS: 17511-89-6
PubChem CID: 205131
DTXSID: DTXSID90169933
ChEMBL: CHEMBL382127
ChEBI: CHEBI:39505
UNII: 03L0BL8FBI
EC Number: 843-912-1
Nikkaji: J77.969E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 153

물리화학적 성질

끓는 점: 129 · 129-130 °C(Press: 7 Torr)
밀도: 0.995 · 0.995±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.27 · 10.27±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.