4-다이메틸아미노-2-메톡시벤잘데히드

4-(Dimethylamino)-2-methoxybenzaldehyde

HCID 291350CAS 84562-48-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(N(C)C)ccc1C=O
InChIKey: HGDRXADJVGVGBC-UHFFFAOYSA-N
분자식: C10H13NO2
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.09462866

이름 및 식별자

우선 이름: 4-(Dimethylamino)-2-methoxybenzaldehyde
IUPAC: 4-(dimethylamino)-2-methoxybenzaldehyde
현지명: 4-다이메틸아미노-2-메톡시벤잘데히드
영어명: 4-Dimethylamino-2-methoxybenzaldehyde
분자식: C10H13NO2
분자량: 179.22

이름 및 동의어

4-(dimethylamino)-2-methoxybenzaldehydeRefChem:515932677-050-084562-48-14-DIMETHYLAMINO-2-METHOXYBENZALDEHYDEMFCD001518144-(dimethylamino)-2-methoxy-benzaldehydeBenzaldehyde, 4-(dimethylamino)-2-methoxy-2-methoxy-4-dimethylaminobenzaldehydeNSC1565444-dimethylamino-2-methoxy-benzaldehydeSCHEMBL154497

이름 더 보기

4-다이메틸아미노-2-메톡시벤잘데히드NSC 156544

4-Dimethylamino-o-anisaldehydeSCHEMBL7280865DTXSID90303077AKOS015850832NSC-156544AS-65636FM168105SY317423

데이터베이스 식별자

CAS: 84562-48-1
PubChem CID: 291350
DTXSID: DTXSID90303077
EC Number: 677-050-0
Nikkaji: J1.234.232B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 58 · 58-60°C
끓는 점: 150 · 150-152 °C(Press: 0.1 Torr)
밀도: 1.098 · 1.098±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 25 °C에서 · 25°C에서 난용성 0.32g/L.
산도 계수 (pKa): 1.34 · 1.34±0.22(Predicted)
BRN: 2719181 · 2719181

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 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.