N,N,2-Trimethylpropane-1,3-diamine
Basic information
- CAS
6105-72-2- Standard SMILES
CC(CN)CN(C)C- InChIKey
DAMJSIMZZSEQRD-UHFFFAOYSA-N- Molecular formula
- C6H16N2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.13134852
Names & identifiers
- Preferred name
- N,N,2-Trimethylpropane-1,3-diamine
- IUPAC
- N',N',2-trimethylpropane-1,3-diamine
- English name
- N,N,2-trimethylpropane-1,3-diamine
- Molecular formula
- C6H16N2
- Molecular weight
- 116.2
Names & synonyms
N,N,2-Trimethylpropane-1,3-diamineEINECS 228-061-0RefChem:822006228-061-06105-72-2(3-Amino-2-methylpropyl)dimethylamineN1,N1,2-Trimethylpropane-1,3-diamineN',N',2-trimethylpropane-1,3-diamineMFCD098645431,3-Propanediamine,N1,N1,2-trimethyl-SCHEMBL1024914DTXSID30976547
Show more names
1,3-Propanediamine, N1,N1,2-trimethyl-(3-amino-2-methylpropyl)dimethylamine(SALTDATA: FREE)
DAMJSIMZZSEQRD-UHFFFAOYSA-N3-dimethylamino-2-methylpropylamineAKOS009388385AS-47229DA-18440NS00046004N~1~,N~1~,2-Trimethylpropane-1,3-diamineEN300-220055
Database identifiers
- CAS
6105-72-2- PubChem CID
- 110778
- DTXSID
DTXSID30976547- EC Number
- 228-061-0
- Nikkaji
- J227.299G
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52.5
Physicochemical properties
- form
- liquid
- InChI
- 1S/C6H16N2/c1-6(4-7)5-8(2)3/h6H,4-5,7H2,1-3H3
- InChIKey
- DAMJSIMZZSEQRD-UHFFFAOYSA-N
- SMILES
- NCC(C)CN(C)C
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H314-H317
- Precautionary statements
- 261 · P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- Hazard Codes
- C
- Risk Statements
- 21 · 21/22-34-43
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 PSN1 · UN 2735PSN1 8 / PGII
- WGK Germany
- 3 · 3
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
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
Danger
H302+H312 (97.5%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 2735PSN1 8 / PGII
- risk_code
- 21/22-34-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H302+H312-H314-H317
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- Precautionary statements
- P261-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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