기본 정보
- 표준 SMILES
NCC1CCCC(CN)C1- InChIKey
QLBRROYTTDFLDX-UHFFFAOYSA-N- 분자식
- C8H18N2
- 평균 분자량
- 142.24 g/mol
- 단동위원소 질량
- 142.14699858
개요
inhibits both coatomer binding to Golgi membranes and secretion; structure in first source
이름 및 식별자
- 우선 이름
- 1,3-Bis(aminomethyl)cyclohexane
- IUPAC
- [3-(aminomethyl)cyclohexyl]methanamine
- 현지명
- 1,3-비스(아미노메틸)시클로헥산
- 영어명
- 1,3-Cyclohexanebis(methylamine)
- 분자식
- C8H18N2
- 분자량
- 142.24
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2579-20-6- PubChem CID
- 17406
- DTXSID
DTXSID4041238- ChEMBL
CHEMBL3186877- UNII
- VR58242KKB
- EC Number
- 219-941-5
- Nikkaji
- J48.534I
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 52 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 83.3
물리화학적 성질
- 녹는점
- -70 °C · -70 °C
- 끓는 점
- 220 °C · 220 °C
- 밀도
- 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
- 증기압
- 34 Pa · 34Pa at 25℃
- 굴절률
- 20 · n20/D 1.493(lit.)
- 인화점
- 223 °F · 223 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.57 · 10.57±0.29(Predicted)
- 색상
- 무색의
- 수용성
- 녹는
- InChI
- InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
- InChIKey
- QLBRROYTTDFLDX-UHFFFAOYSA-N
- SMILES
- C1(CN)CCCC(CN)C1
- LogP
- 0.783 at · 0.783 at 21.5℃
- EPA
- 1 · 1,3-Cyclohexanedimethanamine (2579-20-6)
화학적 성질
CLEAR COLORLESS LIQUID
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (7 of 413) of reports.
Danger
H302+H312 (12.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 413 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: 1,3-bis(aminomethyl)cyclohexane
1,3-Cyclohexanedimethanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanedimethanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15661
1,3-Cyclohexanedimethanamine: 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.
Hazard Classes and Categories
Acute Tox. 4 (98.3%)
Acute toxicity (Oral) - Category 4
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU7000000
- ridadr
- UN 2735 8/PG 2
- 독성
- LD50 orl-rat: 880 mg/kg HURC** -,-,73
- HS 번호
- 29213000
- risk_code
- 20/21/22-34-22-52/53-35-21/22
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45-25-61
- 포장분류
- I
- 위험 등급
- 8
- 기존화학 물질
- KE-09173
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Cyclohexanedimethanamine: ACTIVE
응용 분야
용도1,3-cyclohexanebis(methylamine) be used as organic intermediates and epoxy curing agents.
일반 설명This product has been enhanced for energy efficiency.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
불러오는 중…