기본 정보
- CAS
21035-59-6- 표준 SMILES
CNCc1ccccn1- InChIKey
OOTKJPZEEVPWCR-UHFFFAOYSA-N- 분자식
- C7H10N2
- 평균 분자량
- 122.17 g/mol
- 단동위원소 질량
- 122.08439833
개요
structure in first source; do not confuse with DMAP cpd
이름 및 식별자
- 우선 이름
- N-methyl-1-(pyridin-2-yl)methanamine
- IUPAC
- N-methyl-1-pyridin-2-ylmethanamine
- 영어명
- Methylpyridin-2-ylmethylamine dihydrochloride
- 분자식
- C7H10N2
- 분자량
- 122.17
이름 및 동의어
N-Methyl-1-(pyridin-2-yl)methanamineDMAP amineRefChem:478261N-methyl-1-(pyridine-2-yl)methane amine21035-59-62-Pyridinemethanamine, N-methyl-2-[(METHYLAMINO)METHYL]PYRIDINEN-methyl-1-pyridin-2-ylmethanamineN-Methyl-N-(2-pyridylmethyl)amineMethyl(2-pyridylmethyl)amineMFCD020894072-Picolylmethylamine
이름 더 보기
Einecs 244-160-1alpha-PicolylmethylamineN-Methyl-1-(pyridin-2-yl)N-Methyl-2-pyridinemethanamineN-Methylpyridine-2-methanamine
methyl[(pyridin-2-yl)methyl]amineN-methyl-2-picolylamineNCIOpen2_0002952-(methylaminomethyl)pyridine2-(N-methylaminomethyl)pyridinePyridine, 2-(methylaminomethyl)-BBL029574NSC 63910
데이터베이스 식별자
- CAS
21035-59-6- PubChem CID
- 88757
- DTXSID
DTXSID10175238- UNII
- EBR8435235
- EC Number
- 244-160-1
- Nikkaji
- J225.381J
물성
구조 계산 물성
- XLogP
- 0.3
- 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
물리화학적 성질
- 녹는점
- 64 °C · 64 °C
- 끓는 점
- 78 · 78-80 °C(Press: 10 Torr)
- 밀도
- 0.994 g/mL · 0.994 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.524
- 인화점
- 82 ℃ · 82℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 1 · pK1:2.92(+2);pK2:8.82(+1) (30°C)
- 색상
- 무색의
- InChI
- 1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3
- InChIKey
- OOTKJPZEEVPWCR-UHFFFAOYSA-N
- SMILES
- CNCc1ccccn1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2933399990
- risk_code
- 22-37/38-41
- hazard_code
- Xi,Xn
- safety_code
- 26
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도2-[(Methylamino)methyl]pyridine is used as a reagent in the preparation and structure activity relationship of imidazolopyrimidones as gonadotropin-releasing hormone (GnRH) receptor antagonists.
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