4-(Dimethylamino)-cinnamaldehyde

HCID 92224CAS 6203-18-5

기본 정보

표준 SMILES: CN(C)c1ccc(C=CC=O)cc1
InChIKey: RUKJCCIJLIMGEP-UHFFFAOYSA-N
분자식: C11H13NO
평균 분자량: 175.23 g/mol
단동위원소 질량: 175.09971404

이름 및 식별자

우선 이름: 4-(Dimethylamino)-cinnamaldehyde
IUPAC: 3-[4-(dimethylamino)phenyl]prop-2-enal
영어명: 4-(Dimethylamino)cinnamaldehyde
분자식: C11H13NO
분자량: 175.23

이름 및 동의어

4-(Dimethylamino)-cinnamaldehydeRefChem:5159493-[4-(Dimethylamino)phenyl]prop-2-enal4-dimethylamino cinnamaldehyde4-dimethylamino-cinnamaldehydeSCHEMBL351371orb1680102SCHEMBL43123584-(dimethylamino) cinnamaldehydeDTXSID80859952RUKJCCIJLIMGEP-UHFFFAOYSA-NSAI_0001

이름 더 보기

4-DIMETHYLAMINOCINNAMALDEHYDEP-DIMETHYLAMINOCINNAMALDEHYDE(E)-3-(4-(diMethylaMino)phenyl)acrylaldehydeDMACA REAGENTamino)cinnamaL4-Dimethylcinnamaldehyde4-Dimethylaocinnamaldehyde4-Dimethylaminociamaldehyde4-Dimethylaminocinnamaldhyde4-Dimethylaminocinnamaldehye

STR013113-(4-dimethylaminophenyl)acrylaldehydeAKOS025244056

데이터베이스 식별자

CAS: 6203-18-5
PubChem CID: 92224
DTXSID: DTXSID80859952

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 138 · 138-140 °C(lit.)
끓는 점: 306.53 °C · 306.53°C (rough estimate)
밀도: 1.0582 · 1.0582 (rough estimate)
굴절률: 1.526 · 1.5260 (estimate)
저장 조건: -20 °C · -20°C
용해도: 50 mg/mL, · 디옥산: 50mg/mL, 투명
산도 계수 (pKa): 4.59 · 4.59±0.24(Predicted)
물리적 상태: 가루
색상: 노란색에서 주황색으로
BRN: 972369 · 972369
안정성: 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다.
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+
InChIKey: RUKJCCIJLIMGEP-ONEGZZNKSA-N
SMILES: CN(C)c1ccc(\C=C\C=O)cc1
LogP: 2.63 · 2.630 (est)
NIST: 2 · 2-Propenal, 3-[4-(dimethylamino)phenyl]-(6203-18-5)
EPA: 2 · 2-Propenal, 3-[4-(dimethylamino)phenyl]- (6203-18-5)

화학적 성질

white to light yellow crystal powde

안전 및 규제

유해성 정보

Regulatory Information4-(Dimethylamino)-cinnamaldehyde: Does not have an individual approval but may be used under an appropriate group standard

규제 정보

Regulatory Information4-(Dimethylamino)-cinnamaldehyde: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1789 8/PG 3
HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 8-10-23
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-(Dimethylamino)cinnamaldehyde is a reagent for assay of indole product of apotryptophanase and tryptophanase. It has been used in a chromogenic method for quantifying proanthocyandines in cranberry powder.

일반 설명DMACA is basically a selective staining reagent. It helps identify the flavanols by staining them blue in color.