Bis(3-aminopropyl)amine (HCID 5942)

개요

3,3'-iminodipropylamine appears as a colorless liquid. Less dense than water. Flash point of 170 °F. Very irritating to skin and eyes, and may be toxic by ingestion. Used to make soaps, dyes, and pharmaceuticals.

이름 및 식별자

우선 이름: Bis(3-aminopropyl)amine
IUPAC: N'-(3-aminopropyl)propane-1,3-diamine
현지명: 3,3'-이미노비스(프로필아민)
영어명: DIPROPYLENETRIAMINE
분자식: C6H17N3
분자량: 131.22

이름 및 동의어

NorspermidineBis(3-aminopropyl)amineDipropylenetriamine56-18-83,3'-Iminobispropylamine1,7-Diamino-4-azaheptane4-Azaheptane-1,7-diamine3,3'-Iminobis(propylamine)Aminobis(propylamine)Iminobis(propylamine)3,3-DiaminodipropylamineDipropylentriamin

이름 더 보기

3,3'-이미노비스(프로필아민)디아미노프로필아민3,3'-이미노디(프로필아민)다이프로필렌트라이아민IBPA3,3'-IMINODIPROPYLAMINE3,3'-DiaminodipropylamineNSC 7773FENTAMINE IBPA-3-Aminopropyl

P 2 (hardener)Imino-bis(3-propylamine)N-3-Aminopropyl-1,3-diaminopropane1,3-Propanediamine, N-(3-aminopropyl)-N'-(3-aminopropyl)propane-1,3-diamineDipropylamine, 3,3'-diamino-Bis-(3-aminopropyl)amine1-Propanamine, 3,3'-iminobis-

데이터베이스 식별자

CAS: 56-18-8
PubChem CID: 5942
DTXSID: DTXSID0025440
ChEMBL: CHEMBL28743
ChEBI: CHEBI:16841
UNII: RN1144MGND
EC Number: 200-261-2
Nikkaji: J9.891D

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 64.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 6
무거운 원자 수: 9
형식 전하: 0
복잡도: 41.6

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

CosmeticsBuffering

SpringerMaterials PropertiesFusion temperature

Density · 2건

0.9307 at 68 °F (NTP, 1992) - Less dense than water; will float

0.938 @25 °C

SolubilitySoluble (>=10 mg/ml) (NTP, 1992)

Flash Point175 °F (NTP, 1992)

물리화학적 성질

녹는점: 14 °C · −14 °C(lit.)
끓는 점: 151 °C50 · 151 °C50 mm Hg(lit.)
밀도: 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.481(lit.)
인화점: 245 °F · 245 °F
저장 조건: 2 · 2-8°C
수용성: Completely miscible in water
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
산도 계수 (pKa): 1 · pK1:8.02(+2);pK2:9.70(+1);pK3:10.70(0) (30°C)
색상: 무색 내지 거의 무색
BRN: 1071254 · 1071254
안정성: 공기와 빛에 민감합니다. 타기 쉬운. 산화제와 호환되지 않습니다.
화장품 원료 기능: 버퍼링
InChI: 1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
InChIKey: OTBHHUPVCYLGQO-UHFFFAOYSA-N
SMILES: NCCCNCCCN
LogP: -0.826 · -0.826 (est)
EPA: Norspermidine (56-18-8)

화학적 성질

colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 5건

Chemical: 1,3-Propanediamine, N1-(3-aminopropyl)-

1,3-Propanediamine, N1-(3-aminopropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1-(3-aminopropyl)- 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: 20-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10361

1,3-Propanediamine, N-(3-aminopropyl)-: 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.)

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

DOT LabelCorrosive

Fire Hazards · 2건

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

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2건

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

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

Hazards Summary · 1건

Corrosive to skin; [Quick CPC] Irritating and corrosive; Toxic by ingestion and inhalation; [NTP] A severe eye and moderate skin irritant; Causes dyspnea and cyanosis in lethal-concentration studies of rats; [RTECS] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Dermal LD50 (rat) between 200 and 400 mg/kg; [Alfa Aesar MSDS]

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Accidental Release Measures · 2건

· 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 · 2건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and Evacuation · 2건

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

Immediate precautionary measure

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 30 mg/m3/4hr

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: JL9450000
ridadr: UN 2269
HS 번호: 29252900
risk_code: 22-24-26-35-43-68-48/20/21
hazard_code: T+,C
safety_code: 26-28-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: 2014-1-707
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Muta. 2Skin Corr. 1ASkin Sens. 1ASTOT RE 2
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 3,3'-이미노디(프로필아민) 및 이를 1% 이상 함유한 혼합물
유해화학물질 필터링: 2014-1-707

화학 및 산업

용도 및 제조

UsesUsed as an intermediate for soaps, dyestuffs, rubber chemicals, emulsifying agents, petroleum specialties, insecticides, and pharmaceuticals; [NTP]

U.S. Production2023: <75,000 lb

Industry UsesIntermediate

Use ClassificationCosmetics -> Buffering

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1,3-Propanediamine, N1-(3-aminopropyl)-: ACTIVE

응용 분야

용도A structural homologue of the natural polyamine spermidine with antitumor activity that may make it useful as a antineoplastic agent.

일반 설명A colorless liquid. Less dense than water. Flash point of 170°F. Very irritating to skin and eyes, and may be toxic by ingestion. Used to make soaps, dyes, and pharmaceuticals.