Basic information
- CAS
333-93-7- Standard SMILES
Cl.Cl.NCCCCN- InChIKey
XXWCODXIQWIHQN-UHFFFAOYSA-N- Molecular formula
- C4H14Cl2N2
- Average molar mass
- 161.07 g/mol
- Monoisotopic mass
- 160.05340381
Overview
1,4-Diaminobutane dihydrochloride is an alkylamine.
Names & identifiers
- Preferred name
- Putrescine Dihydrochloride
- IUPAC
- butane-1,4-diamine;dihydrochloride
- English name
- 1,4-Diaminobutane dihydrochloride
- Molecular formula
- C4H14Cl2N2
- Molecular weight
- 161.07
Names & synonyms
1,4-Diaminobutane dihydrochloridePutrescine dihydrochlorideTetramethylenediamine dihydrochloride1,4-Butanediamine dihydrochloride1,4-BUTANEDIAMINE, DIHYDROCHLORIDEX45SUR7RHY1,4-Diaminobutane, dihydrochlorideNSC 5861EINECS 206-375-91,4-Butanediamine, hydrochloride1,4-Butanediamine, hydrochloride (1:2)AI3-18304
Show more names
Putrescine 2HClBDADClPutrescin dihydrochlorideDIAMINOBUTANE DIHYDROCHLORIDEPutrescine dihPutrescine dihydrochL1,4-DIAMINOBUTANE 2HCL4-Diaminobutane ? 2HCl1,4-Diaminobutane DiHCl
Tetramethylenediammonium dichlorideDTXSID5059824NSC-5861PUTRESCINE DIHYDROCHLORIDE [MI]RefChem:8703801,4Butanediamine, hydrochloride1,4Diaminobutane dihydrochlorideDTXCID1038668
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 17.5
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Physical DescriptionSolid; [Merck Index]
Physicochemical properties
- Melting point
- 280 °C · 280 °C (dec.)(lit.)
- Boiling point
- 265.47 °C · 265.47°C (rough estimate)
- Density
- 1.2524 · 1.2524 (rough estimate)
- vapor pressure
- 436 Pa · 436 Pa ( 25 °C)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: 100 mg/mL
- form
- powder
- color
- White
- explosive limit
- 0.7 · 0.7-11.2% (v/v)
- biological source
- synthetic (organic)
- Water Solubility
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (99%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 209 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,4-Butanediamine, dihydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses other liver changes and effects on transaminases in acute intraperitoneal studies of rats; Oral LD30 (mouse) > 1,000 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Putrescine.
Hazard Classes and CategoriesSkin Irrit. 2 (99%)
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EJ7280000
- hs_code
- 29212900
Chemistry & industry
Uses & manufacturing
UsesUsed in biochemical research; [Merck Index]
General Manufacturing Information1,4-Butanediamine, hydrochloride (1:2): ACTIVE
Applications
UsesPutrescine dihydrochloride has been used as medium component in F-12 + GlutaMax medium for mice ganglia culture, retinal ganglion cell culture and in HCT116 colon carcinoma cells for ornithine decarboxylase (ODC) assay.
General DescriptionPutrescine is an end product of fatty acid metabolism in dead tissues. It is a volatile diamine with pungent odour. It is synthesized by the decarboxylation of ornithine in the presence of enzyme, ornithine decarboxylase. Molecular docking studies reveal the binding of putrescine to human receptors called the trace amine-associated receptors (TAAR6 and TAAR8), present in olfactory epithelium.
Suppliers100 total
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]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Related reactions
5 records
Compound notes
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