기본 정보
- CAS
118352-39-9- 표준 SMILES
N=c1cccc(N)[nH]1- InChIKey
VHNQIURBCCNWDN-UHFFFAOYSA-N- 분자식
- C5H7N3
- 평균 분자량
- 109.13 g/mol
개요
structure in first source
이름 및 식별자
- 우선 이름
- 2,6-Diaminopyridine
- IUPAC
- pyridine-2,6-diamine
- 현지명
- 2-피리딘아민,1,6-디히드로-6-이미노-,(Z)-(9CI)
- 영어명
- 2-Pyridinamine,1,6-dihydro-6-imino-,(Z)-(9CI)
- 분자식
- C5H7N3
- 분자량
- 109.13
이름 및 동의어
2,6-Diaminopyridine141-86-6pyridine-2,6-diamine2,6-pyridinediaminepyridine, 2,6-diamino-DAP (amine)DTXSID0040127NSC-1921K89AB8CKG6RODOL 26PYRDTXCID8020127RefChem:83122
이름 더 보기
2-피리딘아민,1,6-디히드로-6-이미노-,(Z)-(9CI)2-Pyridinamine,1,6-dihydro-6-imino-,(Z)-(9CI)
CHEBI:51598205-507-2Diaminopyridinepyridine-2,6-diyldiamineMFCD00006329NSC 19212,6-Diamino pyridine118352-40-2
데이터베이스 식별자
- CAS
118352-39-9- ChEMBL
CHEMBL339234- UNII
- K89AB8CKG6
- EC Number
- 205-507-2
- Nikkaji
- J38.340F
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 64.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 66.1
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
CosmeticsHair dyeing
Boiling Point285 °C @760 [mm Hg]
Physical DescriptionSlightly brown solid; [EC: SCCS - Opinion] Light brown, yellow, or off-white powder or flakes; [Alfa Aesar MSDS]
Ionization Efficiency
Positive
3.05
1.9
Agilent XCT
Electrospray ionization
trifluoroacetic acid (10.4nM)
Collision Cross Section119.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0040127]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2,6-Pyridinediamine
2,6-Diaminopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
One report of occupational contact dermatitis in the pharmaceutical industry; [NTP] A strong sensitizer based on the mouse local lymph node assay (LLNA); Oral LD50 (rat) = 50-300 mg/kg; A 90-day oral study of rats demonstrated the erythrocytes, spleen, kidney, and liver as target organs of toxicity (most changes recovering after 4-week recovery period); Developmental toxicity (decreased fetal and placental weights and incomplete thoracic vertebrae ossification) but no teratogenicity observed in oral study of rats in the presence of maternal toxicity; [EC: SCCS - Opinion] An irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (99%)
안전 및 보호
Protective Action Criteria (PAC)
0.33 [mg/m3]
3.6 [mg/m3]
22 [mg/m3]
독성 정보
화학 및 산업
용도 및 제조
Uses
Used in oxidative hair dyes; [EC: SCCS - Opinion] Used as an intermediate for pharmaceuticals and polyamides, epoxy curing agent, and coupler in hair dyes; [NTP]
Plastic Composites Manufacturing [Category: Industry]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,6-Pyridinediamine: ACTIVE
공급사1 곳
CHEMSTEP[email protected]
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