CAS 1204-23-5 1-Methyl-7-methoxy-2-tetralone (HCID 10797755)

기본 정보

CAS: 1204-23-5
표준 SMILES: COc1ccc2c(c1)C(C)C(=O)CC2
InChIKey: DYIWPPSNJSVFED-UHFFFAOYSA-N
분자식: C12H14O2
평균 분자량: 190.24 g/mol
단동위원소 질량: 190.09937969

이름 및 식별자

우선 이름: 1-Methyl-7-methoxy-2-tetralone
IUPAC: 7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
현지명: 7-메톡시-1-메틸-2-테트라론
영어명: 7-METHOXY-1-METHYL-2-TETRALONE
분자식: C12H14O2
분자량: 190.24

이름 및 동의어

1204-23-51-methyl-7-methoxy-2-tetraloneRefChem:2319777-Methoxy-1-methyl-2-tetralone7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one7-methoxy-1-methyl-3,4-dihydronaphthalen-2(1H)-oneMFCD007978487-methoxy-1-methyl-tetralin-2-one3,4-dihydro-7-methoxy-1-methyl-2(1H)-naphthalenoneSCHEMBL55129792(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-1-methyl-7-methoxy-1-methyl-3,4-dihydro-2(1H)-naphthalenone

이름 더 보기

7-메톡시-1-메틸-2-테트라론1-methyl-7-methoxy-2-tetralinone1-methyl-7-methoxy-2-naphthaleneone

DYIWPPSNJSVFED-UHFFFAOYSA-N1-methyl- 7-methoxy-2-tetraloneDTXSID601305388AKOS006271706CS-W000443AS-32497SY018567DB-296798

데이터베이스 식별자

CAS: 1204-23-5
PubChem CID: 10797755
DTXSID: DTXSID601305388
Nikkaji: J1.930.440J

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 224

물리화학적 성질

끓는 점: 125 · 125-126 °C(Press: 0.8 Torr)
밀도: 1.076 · 1.076±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
InChI: InChI=1S/C12H14O2/c1-8-11-7-10(14-2)5-3-9(11)4-6-12(8)13/h3,5,7-8H,4,6H2,1-2H3
InChIKey: DYIWPPSNJSVFED-UHFFFAOYSA-N
SMILES: C1(C)C2=C(C=CC(OC)=C2)CCC1=O

안전 및 규제

안전 데이터

HS 번호: 2914500090

화학 및 산업

응용 분야

용도7-Methoxy-1-methyl-2-tetralone is a reagent that is used in the synthesis of dezocine (D299800), which is an opioid analgesic that is related to Pentazocine (P274300).