1-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)methanamine
기본 정보
- CAS
893597-67-6- 표준 SMILES
Cc1ccc(CNCc2ccncc2)s1- InChIKey
WWTLIMSYMOPQDJ-UHFFFAOYSA-N- 분자식
- C12H14N2S
- 평균 분자량
- 218.32 g/mol
- 단동위원소 질량
- 218.08776963
이름 및 식별자
- 우선 이름
- 1-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)methanamine
- IUPAC
- N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
- 영어명
- CHEMBRDG-BB 9023892
- 분자식
- C12H14N2S
- 분자량
- 218.32
이름 및 동의어
893597-67-61-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)methanamineN-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine1-(5-METHYL-2-THIENYL)-N-(4-PYRIDINYLMETHYL)METHANAMINEAN-465/42767301ZINC54958174DTXSID30405928MFCD07406710STK281256AKOS000284672CCG-123219CC1=CC=C(S1)CNCC2=CC=NC=C2
이름 더 보기
AKOS LT-1074X1214CHEMBRDG-BB 9023892UKRORGSYN-BB BBV-1706784-Pyridinemethanamine, N-[(5-methyl-2-thienyl)methyl]-1-(5-methyl-2-thienyl)-N-(4-pyridinylmethyl)methanamine(SALTDATA: HCl)
ZINC0000549581741(5methylthiophen2yl)N(pyridin4ylmethyl)methanamine1(5METHYL2THIENYL)N(4PYRIDINYLMETHYL)METHANAMINEN((5METHYL2THIENYL)METHYL)N(4PYRIDINYLMETHYL)AMINEN((5METHYLTHIOPHEN2YL)METHYL)1PYRIDIN4YLMETHANAMINEN-[(5-methyl-2-thienyl)methyl]-1-(4-pyridyl)methanamineN-[(5-methyl-2-thienyl)methyl]-N-(4-pyridinylmethyl)amine1-(5-Methylthiophen-2-yl)-N-[(pyridin-4-yl)methyl]methanamine
데이터베이스 식별자
- CAS
893597-67-6- PubChem CID
- 4718413
- DTXSID
DTXSID30405928
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 53.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 180
물리화학적 성질
- 끓는 점
- 345.9 · 345.9±37.0 °C(Predicted)
- 밀도
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.76 · 6.76±0.20(Predicted)
관련 반응
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