Basic information
- Standard SMILES
CCN(CC)CCCCN- InChIKey
JILXUIANNUALRZ-UHFFFAOYSA-N- Molecular formula
- C8H20N2
- Average molar mass
- 144.26 g/mol
- Monoisotopic mass
- 144.16264864
Overview
regulates polyamine biosynthesis & inhibits L1210 leukemia cell growth; structure given in first source
Names & identifiers
- Preferred name
- N,N-Diethyl-1,4-butanediamine
- IUPAC
- N',N'-diethylbutane-1,4-diamine
- English name
- 4-(Diethylamino)butylamine
- Molecular formula
- C8H20N2
- Molecular weight
- 144.26
Names & synonyms
27431-62-5N,N-Diethylbutane-1,4-diamineN,N-diethyl-1,4-butanediamineN(1),N(4)-Diethylputrescine8LT9SA85Z9N(1),N(4)-bis(ethyl)putrescineDTXSID30181851RefChem:8213371,4-BEPDTXCID70104342248-456-1(4-aminobutyl)diethylamine
Show more names
TIMTEC-BB SBB008614RARECHEM AL BW 11354-(Diethylamino)butylamine ,97%
N1,N1-Diethylbutane-1,4-diamine4-(DIETHYLAMINO)BUTYLAMINE4-DiethylaminobutylamineMFCD00014836N',N'-diethylbutane-1,4-diamineN1,N1-Diethyl-1,4-butanediamine1,4-BUTANEDIAMINE, N1,N1-DIETHYL-4-(diethylamino)butyl amine
Database identifiers
- CAS
27431-62-5- PubChem CID
- 117976
- DTXSID
DTXSID30181851- UNII
- 8LT9SA85Z9
- EC Number
- 248-456-1
- Nikkaji
- J250.508H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 60.3
Physicochemical properties
- Melting point
- 156 · 156-158 °C
- Boiling point
- 55 °C/ · 55°C/ 3mm
- Density
- 0.83 · 0.83
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 10.48 · 10.48±0.25(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Air & Moisture Sensitive
- InChI
- 1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3
- InChIKey
- JILXUIANNUALRZ-UHFFFAOYSA-N
- SMILES
- CCN(CC)CCCCN
- CAS DataBase Reference
- 27431 · 27431-62-5(CAS DataBase Reference)
- FDA UNII
- 8 LT9SA85Z9 · 8LT9SA85Z9
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- target organs
- Respiratory system
- Hazard Codes
- C,Xn
- Risk Statements
- 34 · 34-41-37/38-22
- Safety Statements
- 26 · 26-36/37/39-39
- RIDADR
- 2735 · 2735
- WGK Germany
- 3 · WGK 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29212900 · 29212900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- wgk
- WGK 3
- ridadr
- 2735
- hs_code
- 29212900
- risk_code
- 34-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-39
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H314-H318
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(Diethylamino)butylamine has been used on prostatic cancer cells and has been found to reduce the putrescine uptake inhibitory activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers48 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海正钇医药科技有限公司17740884366 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Speranza Chemical Co., Ltd.+86-86-075521030354 +86-18688942810 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海芸联医药科技有限公司13120563767 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
深圳普兰达化工有限公司0755-21030354 18126410231 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
天津易创成医药技术有限公司022-83946278 13820503911 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
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