Basic information
- CAS
4543-96-8- Standard SMILES
CNCCCN(C)C- InChIKey
SORARJZLMNRBAQ-UHFFFAOYSA-N- Molecular formula
- C6H16N2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.13134851
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N1,N1,N3-trimethyl-
- IUPAC
- N,N',N'-trimethylpropane-1,3-diamine
- English name
- N,N,N'-Trimethyl-1,3-propanediamine
- Molecular formula
- C6H16N2
- Molecular weight
- 116.2
Names & synonyms
N,N,N'-Trimethyl-1,3-propanediamineN,N,N'-Trimethylpropane-1,3-diamine1,3-Propanediamine, N1,N1,N3-trimethyl-EINECS 224-901-53-Dimethylamino-N-methylpropylamineDTXSID6063517RefChem:219531DTXCID5040415224-901-5SORARJZLMNRBAQ-UHFFFAOYSA-N4543-96-8N,N,N-Trimethyl-1,3-propanediamine
Show more names
stabilisedwithKOHN,N,N'-TRIMETHYL-1,3TRIMETHYLPROPANEDIAMINEPROPANEDIAMINENNNTRIMETHYLn,n,n’-trimethyl-3-propanediamineN N N'-TRIMETHYLTRIMETHYLENEDIAMINEN,N,N' -Trimethylpropan-1,3-diamine
1,3-Propanediamine, N,N,N'-trimethyl-N,N',N'-trimethylpropane-1,3-diamine[3-(dimethylamino)propyl](methyl)amineMFCD00014879N1,N1,N3-trimethylpropane-1,3-diamineDSL8U57NVMN1,N1,N3-Trimethyl-1,3-propanediamineNCIStruc1_000382
Database identifiers
- CAS
4543-96-8- PubChem CID
- 78302
- DTXSID
DTXSID6063517- UNII
- DSL8U57NVM
- EC Number
- 224-901-5
- Nikkaji
- J25.732J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 15.3 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
- -7.15 °C · -7.15°C (estimate)
- Boiling point
- 140 · 140-142 °C(lit.)
- Density
- 0.793 g/mL · 0.793 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4283(lit.)
- Flash point
- 94 °F · 94 °F
- storage temp.
- Flammables area
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 10.61 · 10.61±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Soluble in water.
- Sensitive
- Air Sensitive
- Exposure limits
- 2 mg/m3NIOSH: · ACGIH: Ceiling 2 mg/m3NIOSH: Ceiling 2 mg/m3
- Stability
- Hygroscopic
- InChI
- 1S/C6H16N2/c1-7-5-4-6-8(2)3/h7H,4-6H2,1-3H3
- InChIKey
- SORARJZLMNRBAQ-UHFFFAOYSA-N
- SMILES
- CNCCCN(C)C
- LogP
- 0.389 · 0.389 (est)
- CAS DataBase Reference
- 4543 · 4543-96-8(CAS DataBase Reference)
- FDA UNII
- 8 U57NVM · DSL8U57NVM
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N,N'-trimethyl- (4543-96-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302+H312+H332-H314
- Precautionary statements
- 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-20/21/22-34
- Safety Statements
- 16 · 16-26-36/37/39-45
- RIDADR
- 2734 · UN 2734 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29212900 · 29212900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29212900
- risk_code
- 10-20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H302+H312+H332-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 3Skin Corr. 1B
- Precautionary statements
- P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Propanediamine, N1,N1,N3-trimethyl-: ACTIVE
Applications
UsesN,N,N′-Trimethyl-1,3-propanediamine was used in preparation of unlabelled N,N,N′-trimethyl-[2-hydroxy-3-methyl-5-iodobenzyl]-1,3-propanediamine (HIDPM).
Upstream & downstream products
Upstream raw materials
Suppliers81 total
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Related reactions
123 records
Compound notes
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