1-hydroxy-5-(2-methylpropyloxycarbonylamino)-N-(3-dodecyloxypropyl)-2-naphthoamide

HCID 11763158CAS 110560-22-0

기본 정보

표준 SMILES: CCCCCCCCCCCCOCCCNC(=O)c1ccc2c(NC(=O)OCC(C)C)cccc2c1O
InChIKey: RSJZGHMWWMJFSW-UHFFFAOYSA-N
분자식: C31H48N2O5
평균 분자량: 528.7 g/mol
단동위원소 질량: 528.35632264

이름 및 식별자

우선 이름: 1-hydroxy-5-(2-methylpropyloxycarbonylamino)-N-(3-dodecyloxypropyl)-2-naphthoamide
IUPAC: 2-methylpropyl N-[6-(3-dodecoxypropylcarbamoyl)-5-hydroxynaphthalen-1-yl]carbamate

이름 및 동의어

110560-22-01-hydroxy-5-(2-methylpropyloxycarbonylamino)-N-(3-dodecyloxypropyl)-2-naphthoamideEC 406-210-2RefChem:75996406-210-2SCHEMBL54973822-methylpropyl N-[6-(3-dodecoxypropylcarbamoyl)-5-hydroxynaphthalen-1-yl]carbamateNS000047132-(3-dodecoxypropylcarbamoyl)-5-isobutoxycarbonylamino-1-naphthol

데이터베이스 식별자

CAS: 110560-22-0
PubChem CID: 11763158
EC Number: 406-210-2
Nikkaji: J93.732K

물성

구조 계산 물성

XLogP: 9.3
극성 표면적: 96.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 20
무거운 원자 수: 38
형식 전하: 0
복잡도: 644

안전 및 규제

GHS 분류

GHS Classification · 4건

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2794

Hazard Classes and Categories · 2건

Hazardous to the aquatic environment (chronic) - category 4

Aquatic Chronic 4

규제 정보