CAS 45732-95-4 1-(Aminomethyl)cycloheptan-1-ol (HCID 18438648)

기본 정보

CAS: 45732-95-4
표준 SMILES: NCC1(O)CCCCCC1
InChIKey: ZOIJDKLCFSGRFF-UHFFFAOYSA-N
분자식: C8H17NO
평균 분자량: 143.23 g/mol
단동위원소 질량: 143.13101417

이름 및 식별자

우선 이름: 1-(Aminomethyl)cycloheptan-1-ol
IUPAC: 1-(aminomethyl)cycloheptan-1-ol
현지명: 1-아미노메틸사이클로헵탄올
영어명: 1-Aminomethylcycloheptanol
분자식: C8H17NO
분자량: 143.23

이름 및 동의어

45732-95-41-(aminomethyl)cycloheptan-1-olDTXSID90593774RefChem:226000DTXCID20544537630-610-81-(aminomethyl)cycloheptanol1-Aminomethylcycloheptanol1-(aminomethyl)-cycloheptanolMFCD098353591-Aminomethyl-cycloheptanolCHEMBL19249

이름 더 보기

1-아미노메틸사이클로헵탄올

Cycloheptanol, 1-(aminomethyl)-SCHEMBL491716ZOIJDKLCFSGRFF-UHFFFAOYSA-N1-(aminomethyl)-cycloheptan-1-olVBA73295BDBM50028804AKOS009470117EBC-612959

데이터베이스 식별자

CAS: 45732-95-4
PubChem CID: 18438648
DTXSID: DTXSID90593774
ChEMBL: CHEMBL19249
EC Number: 630-610-8

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

물리화학적 성질

끓는 점: 14 °C · 14 °C(Press: 18 Torr)
밀도: 0.992 · 0.992±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.99 · 12.99±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.