Bis(3-aminopropyl)amine (HCID 5942)

概要

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.

名称と識別子

優先名称: Bis(3-aminopropyl)amine
IUPAC: N'-(3-aminopropyl)propane-1,3-diamine
現地名: 3,3'-ジアミノジプロピルアミン
英語名: DIPROPYLENETRIAMINE
分子式: C6H17N3
分子量: 131.22

名称と別名

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

名称をさらに表示

3,3'-ジアミノジプロピルアミン4-アザヘプタン-1,7-ジアミンイミノビスプロピルアミンN-(3-アミノプロピル)プロパン-1,3-ジアミンノルスペルミジンジプロピレントリアミンビス(3-アミノプロピル)アミン1,7-ジアミノ-4-アザヘプタン3,3'-イミノジ(1-プロパンアミン)3,3'-イミノビス(1-アミノプロパン)3,3'-イミノビス(1-プロパンアミン)sym-ノルスペルミジンカルジン3,3'-イミノジ(プロパン-1-アミン)3,3'-イミノビス(プロパン-1-アミン)N,N-ビス(3-アミノプロピル)アミンN-(3-アミノプロピル)-1,3-プロパンジアミンP2【硬化剤】アミノビスプロピルアミン3，3’イミノビスプロピルアミンIBPA3,3'-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-

データベース識別子

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

物性

構造計算による物性

XLogP: -1.4
極性表面積: 64.1 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 6
重原子数: 9
形式電荷: 0
複雑度: 41.6

実験および物理化学的性質

Chemical Classes · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

CosmeticsBuffering

SpringerMaterials PropertiesFusion temperature

Density · 2 件

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)

物理化学的性質

融点: 14 °C · −14 °C(lit.)
沸点: 151 °C50 · 151 °C50 mm Hg(lit.)
比重(密度): 0.938 g/mL · 0.938 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.481(lit.)
闪点: 245 °F · 245 °F
貯蔵温度: 2 · 2-8°C
水溶解度: Completely miscible in water
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: clear liquid
酸解離定数(Pka): 1 · pK1:8.02(+2);pK2:9.70(+1);pK3:10.70(0) (30°C)
色: Colorless to Almost colorless
BRN: 1071254 · 1071254
安定性: 空気と光に敏感。可燃性。酸化剤と相容れない。
化粧品成分の機能: バッファリング
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)
CAS データベース: 56 · 56-18-8(CAS DataBase Reference)
EPAの化学物質情報: Norspermidine (56-18-8)

化学的性質

化学的特性colourless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 5 件

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 · 2 件

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

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

Health Hazards · 2 件

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 · 1 件

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]

安全と保護具

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

Accidental Release Measures · 2 件

· 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 · 2 件

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 · 2 件

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

Immediate precautionary measure

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

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

安全データ

wgk: 2
tsca: TSCA listed
rtecs: JL9450000
ridadr: UN 2269
hs_code: 29252900
risk_code: 22-24-26-35-43-68-48/20/21
化審法: (2)-148
消防法: 危-4-3-III
hazard_code: T+,C
safety_code: 26-28-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Muta. 2Skin Corr. 1ASkin Sens. 1ASTOT RE 2
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

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 · 2 件

All Other Basic Organic Chemical Manufacturing

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

応用分野 · 3 件

用途ニトロ混合物の比色試薬。エポキシ樹脂の架橋剤。

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

一般的な説明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.