7-Amino-1,2,3,4-tetrahydronaphthalen-1-one

HCID 327177CAS 22009-40-1

기본 정보

표준 SMILES: Nc1ccc2c(c1)C(=O)CCC2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
분자식: C10H11NO
평균 분자량: 161.2 g/mol
단동위원소 질량: 161.08406397

이름 및 식별자

우선 이름: 7-Amino-1,2,3,4-tetrahydronaphthalen-1-one
IUPAC: 7-amino-3,4-dihydro-2H-naphthalen-1-one
영어명: 7-AMINO-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
분자식: C10H11NO
분자량: 161.2

이름 및 동의어

7-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONERefChem:545322696-582-422009-40-17-amino-3,4-dihydronaphthalen-1(2h)-one7-amino-1-tetralone7-Amino-alpha-tetralone7-amino-3,4-dihydro-2H-naphthalen-1-oneMFCD073698177-amino-3,4-dihydro-1(2h)-naphthalenone7-aminotetralone7-amino-tetralone

이름 더 보기

7-Amino-α-tetralone7-Amino-a-tetralone7-Amino-3,4-dihydronaphthalen-2(1H)-one7-Amino-alpha-tetralone, CAS 22009-40-11(2H)-Naphthalenone, 7-amino-3,4-dihydro-

NSC301173SCHEMBL656011MLS003115755XAA009407-amino-alpha-tetralone, AldrichCPRNSC-301173AC-7191SMR001831323

데이터베이스 식별자

CAS: 22009-40-1
PubChem CID: 327177
DTXSID: DTXSID00316234
ChEMBL: CHEMBL2141304
EC Number: 696-582-4
Nikkaji: J37.371K

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 140 ℃ · 140℃
끓는 점: 346.5 · 346.5±31.0 °C(Predicted)
밀도: 1.193 · 1.193±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정성 분말
산도 계수 (pKa): 3.92 · 3.92±0.20(Predicted)
색상: 노란색에서 갈색으로
InChI: 1S/C10H11NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3,11H2
InChIKey: IDNLVJHOEZJNHW-UHFFFAOYSA-N
SMILES: Nc1ccc2CCCC(=O)c2c1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)

안전 데이터

wgk: WGK 3
HS 번호: 2921450090
risk_code: 36/38-25
hazard_code: T
safety_code: 22-26-36/37/39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects