4-다이메틸아미노-1-나프탈데하이드

4-Dimethylamino-1-naphthaldehyde

HCID 608052

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1971-81-9
표준 SMILES: CN(C)c1ccc(C=O)c2ccccc12
InChIKey: XCQFZIFIUMBSAO-UHFFFAOYSA-N
분자식: C13H13NO
평균 분자량: 199.25 g/mol
단동위원소 질량: 199.09971404

이름 및 식별자

우선 이름: 4-Dimethylamino-1-naphthaldehyde
IUPAC: 4-(dimethylamino)naphthalene-1-carbaldehyde
현지명: 4-다이메틸아미노-1-나프탈데하이드
영어명: 4-DIMETHYLAMINO-1-NAPHTHALDEHYDE
분자식: C13H13NO
분자량: 199.25

이름 및 동의어

1971-81-94-Dimethylamino-1-naphthaldehydeDTXSID10345919RefChem:98763DTXCID10296992634-974-9XCQFZIFIUMBSAO-UHFFFAOYSA-N4-(Dimethylamino)-1-naphthaldehyde4-(dimethylamino)naphthalene-1-carbaldehyde4-(Dimethylamino);-1-naphthaldehydeMFCD000103711-Naphthalenecarboxaldehyde, 4-(dimethylamino)-

이름 더 보기

4-다이메틸아미노-1-나프탈데하이드TIMTEC-BB SBB0003874-DiMethylaMino-1-naphthaldehyde 97%4-dimethylamino-1-naphthalenealdehyde1-Naphthalenecarboxaldehyde,4-(dimethylamino)-

4-(dimethylamino)-1-naphthalenecarboxaldehydeSCHEMBL346454SCHEMBL29708057AKOS0240151574-Dimethylamino-1-naphthaldehyde, 97%4-dimethylaminonaphthalene-1-carbaldehydeAS-675854-dimethylamino-naphthalene-1-carbaldehyde

데이터베이스 식별자

CAS: 1971-81-9
PubChem CID: 608052
DTXSID: DTXSID10345919
EC Number: 634-974-9
Nikkaji: J309.023J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 227

물리화학적 성질

녹는점: 43 · 43-45 °C(lit.)
끓는 점: 160 · 160-165 °C(Press: 6 Torr)
밀도: 1.15 · 1.150
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0 · 0+-.0.40(Predicted)
InChI: 1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
InChIKey: XCQFZIFIUMBSAO-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(C=O)c2ccccc12

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.