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부틸디메틸아민

N,N-Dimethylbutylamine

HCID 13563
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
927-62-8
표준 SMILES
CCCCN(C)C
InChIKey
DJEQZVQFEPKLOY-UHFFFAOYSA-N
분자식
C6H15N
평균 분자량
101.19 g/mol
단동위원소 질량
101.12044948

개요

N,n-dimethyl-n-butylamine appears as a clear liquid with an ammonia-like odor. Ingestion may irritate or burn the mouth, throat, esophagus and stomach. May cause nausea, vomiting and diarrhea. Inhalation of vapors may irritate the respiratory system and cause pulmonary edema. Contact with the skin may cause burns. Eye contact may cause corrosion to the eyes and contact with the vapor may temporarily blur vision. Vapors heavier than air and may travel considerable distance to a source of ignition and flash back.

이름 및 식별자

우선 이름
N,N-Dimethylbutylamine
IUPAC
N,N-dimethylbutan-1-amine
현지명
부틸디메틸아민
영어명
N,N-Dimethylaminobutane
분자식
C6H15N
분자량
101.19

이름 및 동의어

N,N-DimethylbutylamineDimethylbutylamineButyldimethylamineN-n-ButyldimethylamineN,N-dimethylbutan-1-amine1-Butanamine, N,N-dimethyl-N,N-Dimethyl-1-butanamineButylamine, N,N-dimethyl-n-C4H9N(CH3)2N,N-DIMETHYL-N-BUTYLAMINEAR 84996DTXSID8047472
이름 더 보기
N,N-다이메틸뷰틸아민N,N-다이메틸-1-부탄아민부틸디메틸아민N,N-디메틸아미노부탄N,N-DimethylN-BUTYLDIMETHYLAMINEDIMETHYL-N-BUTYLAMINEar84996
UNII-O0BL4Z8J3HEINECS 213-156-1O0BL4Z8J3H1-(N,N-Dimethylamino)butanedimethyl(n-butyl)amineDTXCID6027472CHEBI:59023EC 213-156-1

데이터베이스 식별자

CAS
927-62-8
PubChem CID
13563
DTXSID
DTXSID8047472
ChEMBL
CHEMBL2448977
ChEBI
CHEBI:59023

물성

구조 계산 물성

XLogP
1.7
극성 표면적
3.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
7
형식 전하
0
복잡도
33.2

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.7
Density0.7206 @ 20°C
Boiling Point95 °C @760 [mm Hg]
Vapor Pressure45.5 [mmHg]
Physical Description · 3건

N,n-dimethyl-n-butylamine appears as a clear liquid with an ammonia-like odor. Ingestion may irritate or burn the mouth, throat, esophagus and stomach. May cause nausea, vomiting and diarrhea. Inhalation of vapors may irritate the respiratory system and cause pulmonary edema. Contact with the skin may cause burns. Eye contact may cause corrosion to the eyes and contact with the vapor may temporarily blur vision. Vapors heavier than air and may travel considerable distance to a source of ignition and flash back.

Liquid

Clear liquid with an ammoniacal odor; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]

Dissociation Constants10.2

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 169 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

1-Butanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanamine, N,N-dimethyl- 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)

REACH registered substance: N,N-dimethylbutylamine (EC: 213-156-1)

1-Butanamine, N,N-dimethyl-: 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.

DOT LabelCorrosive Flammable Liquid
Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Hazards Summary · 1건

A moderate eye irritant; Causes changes in motor activity and acute pulmonary edema in inhalation lethal-concentration studies of rats; [RTECS] May cause skin and eye burns; Inhalation may cause respiratory tract irritation and pulmonary edema; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion; Highly toxic by inhalation; [Sigma-Aldrich MSDS]

화학 및 산업

용도 및 제조

UsesUsed as a catalyst; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 88,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information · 2건

Plastics Product Manufacturing

1-Butanamine, N,N-dimethyl-: ACTIVE

응용 분야 · 2건

용도Dimethylbutylamine is used as a chemical intermediate.

일반 설명N,N-Dimethylaminobutane is a clear liquid with an ammonia-like odor. Flash point 20°F. Boiling point 201°F. Density 0.72 g / cm3. Ingestion may irritate or burn the mouth, throat, esophagus and stomach. May cause nausea, vomiting and diarrhea. Inhalation of vapors may irritate the respiratory system and cause pulmonary edema. Contact with the skin may cause burns. Eye contact may cause corrosion to the eyes and contact with the vapor may temporarily blur vision. Vapors heavier than air and may travel considerable distance to a source of ignition and flash back.

상·하류 제품 정보

상류 원료

N-메틸디부틸아민N,N-디메틸부틸아민디메틸아민메틸알콜이산화탄소염화 n-부틸모노부틸아민

관련 반응

2건
반응 기록 만들기
HRID 522246 반응식
HRID 522246반응물로uspto-grants-2016_05
HRID 730439 반응식
HRID 730439반응물로uspto-grants-2009_09

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
UNII
O0BL4Z8J3H
EC Number
213-156-1
Nikkaji
J43.087K
녹는점
-60 °C · -60 °C
끓는 점
93.3 °C750 · 93.3 °C750 mm Hg(lit.)
밀도
0.721 g/mL · 0.721 g/mL at 25 °C(lit.)
증기압
67 hPa · 67hPa at 20℃
굴절률
20 · n20/D 1.398(lit.)
인화점
25 °F · 25 °F
물리적 상태
투명한 액체
산도 계수 (pKa)
9.83 · 9.83±0.28(Predicted)
색상
무색 내지 거의 무색
냄새
암모니아 같은 냄새
수용성
3.4 g/100mL · 3.4g/100mL(20℃)
Henry's Law Constant
8.9 · 8.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
안정성
안정적인. 강한 산화제, 강산과 호환되지 않습니다. 인화성이 높으며 인화점이 낮습니다.
InChI
1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3
InChIKey
DJEQZVQFEPKLOY-UHFFFAOYSA-N
SMILES
CCCCN(C)C
LogP
0.5 at · 0.5 at 25℃
NIST
1 · 1-Butanamine, N,N-dimethyl-(927-62-8)
EPA
N,N-Dimethylbutylamine (927-62-8)

화학적 성질

colourless liquid

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

N,N-DIMETHYL-N-BUTYLAMINE 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.

Air and Water ReactionsHighly flammable. Partially soluble in water.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 및 보호

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
First AidExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC) · 3건

0.55 [mg/m3]

6.1 [mg/m3]

36 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

독성 정보

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 200,000 mg/m3/4hr

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
EJ4039250
ridadr
UN 2733 3/PG 2
HS 번호
29211990
risk_code
11-20/22-34
hazard_code
F,C
safety_code
26-36/37/39-45-16
포장분류
II
위험 등급
3.1
기존화학 물질
KE-11267
F 고인화성물질
9-34
Hazard Classifications
Acute Tox. 3 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1ASTOT SE 3
스토리지 클래스
3 - Flammable liquids

하류 제품

메틸노르말부틸아민개미산

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추가 설명

정의ChEBI: A tertiary amine consisting of n-butane having a dimethylamino substituent at the 1-position.