기본 정보
- 표준 SMILES
CCN(CC)CCCN- InChIKey
QOHMWDJIBGVPIF-UHFFFAOYSA-N- 분자식
- C7H18N2
- 평균 분자량
- 130.23 g/mol
- 단동위원소 질량
- 130.14699858
개요
3-diethylaminopropylamine appears as a water-white liquid with a fishlike odor. May be very irritating to skin and eyes. Used to make other chemicals and as a component of adhesives.
이름 및 식별자
- 우선 이름
- N,N-Diethyl-1,3-propanediamine
- IUPAC
- N',N'-diethylpropane-1,3-diamine
- 현지명
- 다이에틸아미노트라이메틸렌아민
- 영어명
- 3-Diethylaminopropylamine
- 분자식
- C7H18N2
- 분자량
- 130.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
104-78-9- PubChem CID
- 61011
- DTXSID
DTXSID7059303- UNII
- JB92D3RAVH
- EC Number
- 203-236-4
- Nikkaji
- J35.461I
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 29.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 50.9
실험 및 물리화학적 성질
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Physical Description
3-diethylaminopropylamine appears as a water-white liquid with a fishlike odor. May be very irritating to skin and eyes. Used to make other chemicals and as a component of adhesives.
Liquid
Colorless liquid with a fishy odor; [CAMEO]
물리화학적 성질
- 녹는점
- -60 °C · -60 °C
- 끓는 점
- 169 · 169-171 °C(lit.)
- 밀도
- 0.826 g/mL · 0.826 g/mL at 25 °C(lit.)
- 증기 밀도
- 4.4 · 4.4 (vs air)
- 증기압
- 19.5 mm · 19.5 mm Hg ( 70 °C)
- 굴절률
- 20 · n20/D 1.442
- 인화점
- 138 °F · 138 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.32 · 10.32±0.25(Predicted)
- Specific Gravity
- 0.827 · 0.827 (20/4℃)
- 색상
- 무색투명~미황색
- 수소이온지수(pH)
- 11.7 · 11.7 (10g/l, H2O, 20℃)
- 냄새
- 암모니아 냄새
- 폭발한계
- 1 % · 1.0%(V)
- 수용성
- 혼용 가능
- BRN
- 741879 · 741879
- InChI
- 1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3
- InChIKey
- QOHMWDJIBGVPIF-UHFFFAOYSA-N
- SMILES
- CCN(CC)CCCN
- LogP
- 0.36 at · 0.36 at 25℃
- NIST
- 1 · 1,3-Propanediamine, N,N-diethyl-(104-78-9)
- EPA
- 1 · 1,3-Propanediamine, N,N-diethyl- (104-78-9)
화학적 성질
clear colorless to slightly yellowish liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1,3-Propanediamine, N,N-diethyl-
1,3-Propanediamine, N1,N1-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1,N1-diethyl- 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: 02-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5611
3-Diethylamino-1-propylamine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
A skin irritant; Causes corneal damage in rabbits; Causes respiratory depression, lung changes, changes in erythrocyte count, weight loss, and effects on phosphatases and dehydrogenases in acute inhalation studies of rats; Causes somnolence and respiratory depression in oral lethal-dose studies of mice and rats; [RTECS] May cause severe irritation or burns to skin and eyes; [CAMEO] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS] See N,N-Dimethyl-1,3-propanediamine.
Reactivity Profile
3-DIETHYLAMINOPROPYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquid - category 3
Flammable liquids - Category 3
Corrosives, Flammable agents - 2nd degree
Flam. Liq. 3
안전 및 보호
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Protective Action Criteria (PAC)
1.7 [mg/m3]
18 [mg/m3]
110 [mg/m3]
독성 정보
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TX7350000
- ridadr
- UN 2684
- HS 번호
- 29212900
- risk_code
- 10-21/22-34-43
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 3
- 기존화학 물질
- KE-10513
- 자연 발화 온도
- 419 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1ASkin Sens. 1STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
Uses
Used to make other chemicals and as a component in adhesives; [CAMEO] Used as a curing agent for epoxy resins; [NJ-HSFS]
Working with Glues and Adhesives [Category: Other]
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Propanediamine, N1,N1-diethyl-: ACTIVE
응용 분야
용도3-Diethylaminopropylamine is used as a solvent, extraction agents and organic synthesis intermediates, dyes, pigments, surface active agent.
일반 설명A water-white liquid with a fishlike odor. Flash point 138°F. May be very irritating to skin and eyes. Used to make other chemicals and as a component of adhesives.
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