Basic information
- Standard SMILES
CN(C)CCCCN- InChIKey
GCOWZPRIMFGIDQ-UHFFFAOYSA-N- Molecular formula
- C6H16N2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.13134851
Names & identifiers
- Preferred name
- 4-Dimethylaminobutylamine
- IUPAC
- N',N'-dimethylbutane-1,4-diamine
- English name
- 4-DIMETHYLAMINOBUTYLAMINE
- Molecular formula
- C6H16N2
- Molecular weight
- 116.2
Names & synonyms
4-Dimethylaminobutylamine3529-10-0N,N-Dimethylbutane-1,4-diamineN,N-Dimethyl-1,4-ButanediamineEINECS 222-559-1FRW57N4BFVN1,N1-dimethyl-1,4-butanediamineDTXSID901887801,4-BUTANEDIAMINE, N1,N1-DIMETHYL-RefChem:522531DTXCID50111271222-559-1
Show more names
TIMTEC-BB SBB008514N N-DIMETHYL-1,4-DIAMINOBUTANE4-Dimethylaminobutylamine ,98%(4-Aminobutyl)dimethylamine - [A89698]
(4-aminobutyl)dimethylamine4-(Dimethylamino)butylamineN,N-DimethylaminobutylamineN1,N1-dimethylbutane-1,4-diamineN',N'-dimethylbutane-1,4-diamineMFCD000479771,4-Butanediamine,N1,N1-dimethyl-CHEMBL59625
Database identifiers
- CAS
3529-10-0- PubChem CID
- 77063
- DTXSID
DTXSID90188780- ChEMBL
CHEMBL59625- UNII
- FRW57N4BFV
- EC Number
- 222-559-1
- Nikkaji
- J216.177J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.8
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 73 °C · 73°C 35mm
- Density
- 0.8179 g/cm3 · 0.8179 g/cm3
- refractive index
- 1.44 · 1.4400
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.52 · 10.52±0.10(Predicted)
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- Sensitive
- Air Sensitive
- InChI
- 1S/C6H16N2/c1-8(2)6-4-3-5-7/h3-7H2,1-2H3
- InChIKey
- GCOWZPRIMFGIDQ-UHFFFAOYSA-N
- SMILES
- CN(C)CCCCN
- CAS DataBase Reference
- 3529 · 3529-10-0(CAS DataBase Reference)
- FDA UNII
- 57 N4BFV · FRW57N4BFV
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- Hazard Codes
- Xi,C
- Risk Statements
- 34 · 34-36
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2735 · 2735
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- 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
H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (16.7%)
Safety data
- wgk
- WGK 3
- ridadr
- 2735
- risk_code
- 34-36
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302-H314
- 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 Corr. 1B
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
UsesN,N-Dimethyl-1,4-butanediamine is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海伟括医药科技有限公司19272189127 13331882176
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]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
苏州卓欣雅科技有限公司18506228039 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海睿升化工科技有限公司15026594951 · [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]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
湖州澄博生物科技有限公司13626726938
上海泰坦科技股份有限公司18616708014 · [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 15955137747 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
59 records
Linked notes
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