Basic information
- CAS
4605-14-5- Standard SMILES
NCCCNCCCNCCCN- InChIKey
ZAXCZCOUDLENMH-UHFFFAOYSA-N- Molecular formula
- C9H24N4
- Average molar mass
- 188.31 g/mol
- Monoisotopic mass
- 188.20009677
Overview
3,3,3-tetramine is a polyazaalkane consisting of a 13-membered straight chain alkane with aza-groups at the 1-, 5-, 9- and 13-positions. It is a tetramine and a polyazaalkane. It is a conjugate base of a 3,3,3-tetraminium(4+).
Names & identifiers
- Preferred name
- Norspermine
- IUPAC
- N'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine
- English name
- N,N'-Bis(3-aminopropyl)-1,3-propanediamine
- Molecular formula
- C9H24N4
- Molecular weight
- 188.31
Names & synonyms
4605-14-5NorspermineN,N'-Bis(3-aminopropyl)-1,3-propanediamine3,3,3-tetramineN,N'-Bis(3-aminopropyl)propane-1,3-diamine1,5,9,13-TetraazatridecaneN'-[3-(3-aminopropylamino)propyl]propane-1,3-diamine1,11-diamino-4,8-diazaundecaneDTXSID4063533CHEBI:45718N,N'-Bis[3-aminopropyl]-1,3-propanediamineN'-(3-(3-aminopropylamino)propyl)propane-1,3-diamine
Show more names
Serminesym-NorspermineTripropylenetetramineTripropylenetetraminesNorspermine, 10 mM in DMSO1,5,9,13-Tetraazatridecane,min.97%
RefChem:854752DTXCID4040470225-007-8THERMINE1,3-Propanediamine, N,N'-bis(3-aminopropyl)-N1,N1'-(Propane-1,3-diyl)bis(propane-1,3-diamine)MFCD00008213AI3-61617
Database identifiers
- CAS
4605-14-5- PubChem CID
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 77.7
Physicochemical properties
- Boiling point
- 98 · 98-103 °C1 mm Hg(lit.)
- Density
- 0.92 g/mL · 0.92 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.491(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C, protect from light
- form
- Liquid
- pka
- 10.54 · 10.54±0.19(Predicted)
- color
- Clear slightly yellow
- Sensitive
- Air Sensitive
- InChI
- 1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
- InChIKey
- ZAXCZCOUDLENMH-UHFFFAOYSA-N
- SMILES
- NCCCNCCCNCCCN
- CAS DataBase Reference
- 4605 · 4605-14-5(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N'-bis(3-aminopropyl)- (4605-14-5)
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (79.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 218 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 26-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29872
1,3-Propanediamine, N,N'-bis(3-aminopropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (79.8%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29212900
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1,N3-bis(3-aminopropyl)-: ACTIVE
Applications
UsesN,N′-Bis(3-aminopropyl)-1,3-propanediamine (bappn) may be used in the preparation of [Ni(bappn)(ttcH)]·5H2O complex (ttch= trithiocyanurate dianion).
General DescriptionN,N′-Bis(3-aminopropyl)-1,3-propanediamine, a linear polyamine, has been identified in white shrimp Penaeus setiferus by gas chromatography-mass spectrometry.
Upstream & downstream products
Upstream raw materials
Suppliers53 total
盐城通铭生物科技有限公司15195160625 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司
Related reactions
4 records
Compound notes
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