기본 정보
- 표준 SMILES
CNCc1cccnc1- InChIKey
MCSAQVGDZLPTBS-UHFFFAOYSA-N- 분자식
- C7H10N2
- 평균 분자량
- 122.17 g/mol
- 단동위원소 질량
- 122.08439832
개요
N-methyl-N-(3-pyridylmethyl)amine is an aralkylamine.
이름 및 식별자
- 우선 이름
- 3-(Methylaminomethyl)pyridine
- IUPAC
- N-methyl-1-pyridin-3-ylmethanamine
- 영어명
- 3-[(Methylamino)methyl]pyridine
- 분자식
- C7H10N2
- 분자량
- 122.17
이름 및 동의어
3-(Methylaminomethyl)pyridineEINECS 243-561-9NSC 66532DTXSID70174005NSC 63901RefChem:495531DTXCID9096496243-561-920173-04-0N-methyl-1-(pyridin-3-yl)methanamineN-Methyl-N-(3-pyridylmethyl)amine3-[(Methylamino)methyl]pyridine
이름 더 보기
3-PYRIDINEMETHANAMINE3AMPYJACS-20173-04-0AKOS BBS-00003679TIMTEC-BB SBB004351RARECHEM AL BW 0100OMEGA-AMINO-B-PICOLINEN-Methyl-3-picolylaMine
N-methyl-1-pyridin-3-ylmethanamine3-Pyridinemethanamine, N-methyl-N-methyl(pyridin-3-yl)methanamineMFCD000236103-(N-Methylaminomethyl)pyridinemethyl[(pyridin-3-yl)methyl]amine3-Picolylmethylaminemethyl(pyridin-3-ylmethyl)amine
데이터베이스 식별자
- CAS
20173-04-0- PubChem CID
- 88393
- DTXSID
DTXSID70174005- ChEMBL
CHEMBL357101- ChEBI
CHEBI:194978- UNII
- EZ3WQ524U7
- EC Number
- 243-561-9
- Nikkaji
- J280.469G
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 24.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 73.3
실험 및 물리화학적 성질
LogP0.39
물리화학적 성질
- 녹는점
- 21 °C · −21 °C(lit.)
- 끓는 점
- 73 · 73-74 °C1 mm Hg(lit.)
- 밀도
- 1 g/mL · 1.000 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.551(lit.)
- 인화점
- 213 °F · 213 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 8.61 · 8.61±0.10(Predicted)
- 색상
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3
- InChIKey
- MCSAQVGDZLPTBS-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1CNC
화학적 성질
Colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (84.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (84.8%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2735 8/PG 2
- HS 번호
- 29339900
- risk_code
- 34-37-41-37/38-22
- hazard_code
- C,Xi,Xn
- safety_code
- 26-36/37/39-45
- 위험 참고 사항
- Corrosive
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
상·하류 제품 정보
상류 원료
공급사50 곳
广州诚创生物科技有限公司18027266590 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
广东顺奥化学试剂有限公司19928586137 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京法斯特生物医药有限公司025-58390181 58390186 18912901218 · [email protected]
济南大宇化工有限公司531-87153728 13805401165 · [email protected]
天津安浩生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
관련 반응
58건
연결된 노트
불러오는 중…