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1,2-사이클로헥산디아민

1,2-Diaminocyclohexane

HCID 4610
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
694-83-7
표준 SMILES
NC1CCCCC1N
InChIKey
SSJXIUAHEKJCMH-UHFFFAOYSA-N
분자식
C6H14N2
평균 분자량
114.19 g/mol
단동위원소 질량
114.11569845

개요

1,2-diaminocyclohexane appears as a clear to light yellow liquid. Corrosive to the eyes, skin, mouth, throat and stomach. Vapors may irritate eyes.

이름 및 식별자

우선 이름
1,2-Diaminocyclohexane
IUPAC
cyclohexane-1,2-diamine
현지명
1,2-사이클로헥산디아민
영어명
1,2-Diaminocyclohexane
분자식
C6H14N2
분자량
114.19

이름 및 동의어

1,2-Cyclohexanediaminecyclohexane-1,2-diamine694-83-71,2-DIAMINOCYCLOHEXANECyclohex-1,2-ylenediamineDTXSID0027301DACHC82TX76BHHDTXCID707301Dytek DCH 99RefChem:4114361,2-DACH
이름 더 보기
1,2-사이클로헥산디아민(1R,2R)-CYCLOHEXANE-1,2-DIAMINEDiaminocyclohexane(R,R)-1,2-DIAMINOCYCLOHEXANEDCH-99R-DACHRR-DIAMINOCYCLOHEXANE(R,R)-(-)-1,2-DIAMINOCYCLOHEXANE
211-776-7(rel)-OxaliplatinMFCD000014911,2-CylohexanediamineCAS-694-83-7cis-1,2-CyclohexandiamineHSDB 5748trans-1,2-Cyclohexaneiamine

데이터베이스 식별자

CAS
694-83-7
PubChem CID
4610
DTXSID
DTXSID0027301
ChEMBL
CHEMBL1356279
ChEBI
CHEBI:93778
EC Number
211-776-7
Nikkaji
J6.937J

물성

구조 계산 물성보충 중

XLogP
-0.3
극성 표면적
52 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
62.9

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
DrugsPharmaceuticals
Density0.952 @ 20°C
Flash PointFlash point > 93 °C
Vapor Pressure0.4 [mmHg]
Physical Description · 3건

1,2-diaminocyclohexane appears as a clear to light yellow liquid. Corrosive to the eyes, skin, mouth, throat and stomach. Vapors may irritate eyes.

CBI; Liquid

Dark liquid with an amine odor; [CAMEO]

물리화학적 성질

녹는점
41 · 41-45 °C
끓는 점
92 · 92-93 °C18 mm Hg(lit.)
밀도
0.931 g/mL · 0.931 g/mL at 25 °C(lit.)
증기압
0.4 mm · 0.4 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.49(lit.)
인화점
169 °F · 169 °F
저장 조건
2 · 2-8°C
물리적 상태

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.2% (6 of 513) of reports.

Danger

H302+H312+H332 (16.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, 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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 513 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1,2-Cyclohexanediamine

1,2-Cyclohexanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Cyclohexanediamine 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: 12-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14903

1,2-Cyclohexanediamine: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1건

A corrosive substance; [CAMEO] Effects during recovery period from a 4-hour, lethal-concentration study of rats include skin lesions, discharge from the nose, and labored breathing; Lesions of the nasal mucosa observed in 2-week inhalation study with rats; No other gross or histopathological changes observed; Considered a severe skin and moderate eye irritant based on studies with rabbits; Not sensitizing to skin of guinea pigs; Dermal LD50 (test substance 69.5% 1,6-Hexanediamine and 30.5% 1,2-Diaminocyclohexane) = 7500 mg/kg in albino rabbits and produced severe irritation with necrosis; [EPA HPVIS] Observations in 28-day feeding with rats at highest tested dose (500 mg/kg) include pale discoloration of liver and increased liver enzymes; Decrease in litter size and increased postnatal loss at highest dose; Caused skin sensitization in guinea pigs (20/20 at 24 hours and 13/20 at 48 hours) [ToxPlanet: TSCATS] Causes burns; Potential skin sensitizer; May cause acute pneumonitis after inhalation; [Alfa Aesar MSDS]

화학 및 산업

약리 정보

Mechanism of Action · 2건

/PLATINUM CO-ORDINATION COMPLEXES/ SHARE THE COMMON FORMULA PTA2X2... THE ACTIVE LIGANDS ARE MONODENTATE ANIONS OF INTERMEDIATE LEAVING ABILITY, WHEREAS THE AMINE A LIGANDS INFLUENCE THE SOLUBILITY OF THE COMPLEX. THE STEREOSPECIFICITY OF THE ANTI-TUMOR EFFECT IS AN IMPORTANT PROPERTY OF THE PLATINUM COMPLEXES. ... INDIRECT EVIDENCE SUGGESTS THAT BINDING TO ADJACENT GUANINE BASES IN THE SAME DNA STRAND IS IMPORTANT TO THE MODE OF ACTION. AFTER INITIAL BINDING TO GUANINE BASES, DNA BECOMES LOCALLY DENATURED AND EXPOSES ADDITIONAL CROSS-LINKING SITES. /PLATINUM COMPLEXES/

...THE TOXIC EFFECT ON ANIMALS OF PLATINUM ITSELF DIFFERS ESSENTIALLY FROM THAT OF THE COMPLEX SALTS. ...THE ACTION OF THESE SALTS IS NOT DUE TO THE SEPARATE COMPONENTS, PLATINUM AND THE BASE, BUT TO THAT OF THE MOLECULE AS A WHOLE ON SENSITIVE TISSUES, AND THEIR PHYSIOLOGICAL EFFECT, THOUGH VARYING IN DEGREE, IS IDENTICAL IN CHARACTER. ...AN INCREASE IN THE VALENCY OF THE AMMONIUM COMPONENT WAS ASSOCIATED WITH A STRONGER "CURARE-LIKE" ACTION WHILE A CHANGE IN THE VALENCY OF THE PLATINUM HAD NO INFLUENCE ON THE TOXIC EFFECT. /PLATINUM COMPLEXES/

용도 및 제조

Uses · 2건

Used to make bicyclic pyrazine derivatives; [HSDB]

SYNTHESIS OF BICYCLIC PYRAZINE DERIVATIVES

U.S. Production2023: 2,500,000 - <4,000,000 lb
Industry UsesOther
Household ProductsInformation on 18 consumer products that contain Cyclohex-1,2-ylenediamine in the following categories is provided:
General Manufacturing Information · 2건

Services

1,2-Cyclohexanediamine: ACTIVE

응용 분야 · 2건

1,2-Diaminocyclohexane was used in the synthesis of chiral ruthenium(IV)-oxo complexes & bicyclic pyrazine derivatives.

관련 반응

264건
반응 기록 만들기
HRID 8566 반응식
HRID 8566생성물로uspto-grants-2006_08
HRID 8567 반응식
HRID 8567생성물로uspto-grants-2006_08
HRID 23313 반응식
HRID 23313생성물로uspto-grants-2005_02
HRID 23314 반응식
HRID 23314생성물로uspto-grants-2005_02
HRID 46754 반응식
HRID 46754반응물로uspto-grants-1979_11
HRID 80225 반응식
HRID 80225반응물로uspto-grants-2014_09
HRID 80241 반응식
HRID 80241반응물로uspto-grants-2014_09
HRID 87189 반응식
HRID 87189반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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더보기
새 노트새 반응견적 요청하기
액체
산도 계수 (pKa)
10.76 · 10.76±0.70(Predicted)
색상
투명한
수소이온지수(pH)
11.3 · 11.3 (5g/l, H2O, 20℃)neutral
수용성
혼용 가능
BRN
506142 · 506142
LogP
0 at · 0 at 20℃
NIST
1 · 1,2-Cyclohexanediamine(694-83-7)
EPA
1 · 1,2-Cyclohexanediamine (694-83-7)

화학적 성질

clear slightly yellow to yellow liquid

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

1,2-DIAMINOCYCLOHEXANE is an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsPartially soluble in water and less dense than water.
Hazard Classes and CategoriesAcute Tox. 4 (43.1%)

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC) · 3건

2.1 [mg/m3]

23 [mg/m3]

140 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Non-Human Toxicity Excerpts · 1건

WITHOUT EXTERNAL ACTIVATION, CIS- AND TRANS-DICHLORODIAMMINEPLATINUM(II) (DDP) AND THE CIS-, TRANS (-)-, AND TRANS (+) FORMS OF DICHLORO-1,2-DIAMINOCYCLOHEXANEPLATINUM(II) (DDCP) AND CIS-, TRANS (-), TRANS (+)-SULFATO-1,2-DIAMINOCYCLOHEXANEPLATINUM(II) (SHP) SHOWED A 400-FOLD RANGE OF MUTAGENICITY FOR SALMONELLA TYPHIMURIUM TA100 AND TA98; THEY WERE 2-10 TIMES MORE MUTAGENIC FOR STRAIN TA100 THAN FOR STRAIN TA98. FOR THE DIAMINOCYCLOHEXANE COMPLEXES, MUTAGENIC ACTIVITY WAS STRONGLY DEPENDENT ON STEREOISOMER OF THE DIAMINOCYCLOHEXANE IN THE COMPLEX. WITH STRAIN TA100, THE THE TRANS(+) FORMS OF DDCP & SHP PRODUCED 220 AND 66 REVERTANTS/NMOL, RESPECTIVELY, WHILE THE CIS AND TRANS(-) ISOMERS INDUCED ONLY 10 AND 5% AS MANY REVERTANTS AS THE TRANS(+) FORMS.

Toxicity DataLCLo (rat) = 3,200 mg/m3/4h

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
GU8749500
ridadr
UN 3259 8/PG 2
HS 번호
29213099
risk_code
34
hazard_code
C
safety_code
26-36/37/39-45
포장분류
III
위험 등급
8
기존화학 물질
KE-09164
F 고인화성물질
34
유해 물질 데이터
694-83-7(Hazardous Substances Data)
용도

일반 설명1,2-Diaminocyclohexane undergoes non-templated reaction with homochiral as well as the racemic form of trans-1,2-diaminocyclohexane with terephthaldehyde to yield (3+3)-cyclocondensed molecular triangles. It acts as ligand and forms organotin complexes, having potential applications as metal-based antitumour drugs.

상·하류 제품 정보

하류 제품

Oxaliplatin(9-(4-Iodophenyl))-9H-carbazoleCDTA3A-메틸-데카히드로-벤조[D]피롤로[1,2-A]-이미다졸-1-온