기본 정보
- CAS
51977-17-4- 표준 SMILES
CCOC(=O)Nc1cccc2c(NC(=O)OCC)cccc12- InChIKey
UBDCNFBBUHMLQO-UHFFFAOYSA-N- 분자식
- C16H18N2O4
- 평균 분자량
- 302.32 g/mol
- 단동위원소 질량
- 302.12665706
이름 및 식별자
- 우선 이름
- N,N'-(1,5-Naphthalenediyl)bis(ethyl carbamate)
- IUPAC
- ethyl N-[5-(ethoxycarbonylamino)naphthalen-1-yl]carbamate
이름 및 동의어
N,N'-(1,5-NAPHTHALENEDIYL)BIS(ETHYL CARBAMATE)51977-17-4RefChem:821626666-475-7ethyl N-{5-[(ethoxycarbonyl)amino]naphthalen-1-yl}carbamateDiethyl naphthalene-1,5-diyldicarbamateSCHEMBL7916743UBDCNFBBUHMLQO-UHFFFAOYSA-NAKOS0243366781,5-bis(ethoxycarbonylamino)naphthalene
데이터베이스 식별자
- CAS
51977-17-4- PubChem CID
- 4108140
- EC Number
- 666-475-7
- Nikkaji
- J1.049.462A
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 76.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 352
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
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