1,3-Propanediamine

HCID 428CAS 109-76-2

기본 정보

표준 SMILES
NCCCN
InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N
분자식
C3H10N2
평균 분자량
74.13 g/mol
단동위원소 질량
74.08439832

개요

1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)

이름 및 식별자

우선 이름
1,3-Propanediamine
IUPAC
propane-1,3-diamine
현지명
1,3-디아미노프로판
영어명
1,3-Diaminopropane
분자식
C3H10N2
분자량
74.12

이름 및 동의어

1,3-diaminopropane1,3-Propanediamine109-76-2Trimethylenediamine1,3-Propylenediamine3-Aminopropylaminealpha,omega-PropanediamineCB3ISL56KG1,3-diaminepropaneNSC-8154DTXSID1021906CHEBI:15725
이름 더 보기
1,3-디아미노프로판1,3-프로판디아민1,3-프로필렌다이아민H2N(CH2)3NH213DAP3-Propanediamine1,3-DiaMinopropane, 99% 1LTFENTAMINE PDAAKOS BBS-000042811,3 Diaminopropan
RefChem:72575DTXCID301906203-702-7611-082-8Propane-1,3-diamineMFCD00008228BRN 0605277AI3-25358

데이터베이스 식별자

CAS
109-76-2、54018-94-9
PubChem CID
428
DTXSID
DTXSID1021906
ChEMBL
CHEMBL174324
ChEBI
CHEBI:15725
UNII
CB3ISL56KG
EC Number
203-702-7、611-082-8
Nikkaji
J1.969K

물성

구조 계산 물성

XLogP
-1.4
극성 표면적
52 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 2건

-1.43

-1.43

Density · 2건

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

0.8881 @25 °C

SolubilitySoluble (NTP, 1992)
Flash Point75 °F (NTP, 1992)

물리화학적 성질

녹는점
-12 °C · -12 °C
끓는 점
140 °C · 140 °C(lit.)
밀도
0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
증기압
8 mm · <8 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.458(lit.)
인화점
120 °F · 120 °F

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Propanediamine

1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine 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: 10-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11978

1,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCorrosive Flammable Liquid
Fire HazardsThis compound is a flammable liquid. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992)
Hazards Summary · 1건

Corrosive to skin; [Quick CPC] Highly irritating or corrosive to skin and eyes; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]

안전 및 보호

Fire Fighting · 1건

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1건

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.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC) · 3건

0.93 [mg/m3]

10 [mg/m3]

62 [mg/m3]

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
TX6825000
ridadr
UN 2922 8/PG 2
독성
LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg
HS 번호
29212900

화학 및 산업

약리 정보

Cellular LocationsCytoplasm
Metabolite Pathwaysbeta-Alanine metabolism

용도 및 제조

UsesUsed as an organic intermediate; [NTP]
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

1,3-Propanediamine: ACTIVE

응용 분야 · 2건

용도1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.

일반 설명Water-white mobile liquid with an odor of amine.

제조 방법 · 1건

생산 방법1,3-Diaminopropane is produced in a twostage continuous process, under a pressure of 10 – 20 MPa. In a first reactor, acrylonitrile reacts with excess ammonia at 70 – 100 ℃ to give 2-aminopropionitrile and bis(cyanoethyl) amine. The mixture of aminonitriles is then hydrogenated in a downstream reactor over a fixed-bed catalyst (cobalt or nickel) at 60 – 120 ℃ to give 1,3-diaminopropane and bis (aminopropyl)amine. The yield of 1,3- diaminopropane can be increased by adding a polar solvent and water or by using a large excess of ammonia.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
추가 설명 · 1건

정의ChEBI: 1,3-Diaminopropane is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium.

관련 반응

458건

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