기본 정보
- 표준 SMILES
CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1- InChIKey
NPKFETRYYSUTEC-UHFFFAOYSA-N- 분자식
- C12H21N3O2S
- 평균 분자량
- 271.38 g/mol
- 단동위원소 질량
- 271.13544791
개요
used in film laboratories; causes contact dermatitis & lichenoid reactions; RN given refers to parent cpd
이름 및 식별자
- 우선 이름
- 4-Amino-3-methyl-N-ethyl-N-(beta-(methanesulfonamido)ethyl)aniline
- IUPAC
- N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide
- 현지명
- N-[2-[(4-아미노-m-톨릴)에틸아미노]에틸]메탄술폰아미드
- 영어명
- N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide
- 분자식
- C12H21N3O2S
- 분자량
- 271.37904
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
92-09-1- PubChem CID
- 66693
- DTXSID
DTXSID4043779- ChEMBL
CHEMBL580441- UNII
- 6VOV6V71VO
- EC Number
- 202-124-2
- Nikkaji
- J38.242F
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 340
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 455 · 455.0±55.0 °C(Predicted)
- 밀도
- 1.22 at · 1.22 at 20℃
- 증기압
- 0 · 0-0Pa at 20-25℃
- 물리적 상태
- Solid:particulate/powder
- 산도 계수 (pKa)
- 10.95 · 10.95±0.40(Predicted)
- LogP
- 0.822 at · 0.822 at 25℃ and pH7.5
- EPA
- 2 · Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]- (92-09-1)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Danger
H290 (25%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P390, P391, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-
Status: Active Update: 20-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27699
N-(2-((4-Amino-m-tolyl)ethylamino)ethyl)methanesulfhonamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Can cause skin sensitization; [Marks] May form explosive dust-air mixtures; A skin and eye irritant; May cause skin sensitization (positive results in human test); May cause kidney injury, based on animal studies (targets kidney in oral lethal-dose study of male rats); Harmful by ingestion and inhalation; [Kodak MSDS]
독성 정보
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-05-0126
화학 및 산업
용도 및 제조
Uses
Used as professional photographic processing chemical; [Kodak MSDS]
Photographic Processing [Category: Other]
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