Basic information
- CAS
3378-63-0- Standard SMILES
CC(CCN)CC(C)(C)C- InChIKey
SIABJTQKCPDDKL-UHFFFAOYSA-N- Molecular formula
- C9H21N
- Average molar mass
- 143.27 g/mol
- Monoisotopic mass
- 143.16739967
Names & identifiers
- Preferred name
- 3,5,5-Trimethylhexylamine
- IUPAC
- 3,5,5-trimethylhexan-1-amine
- English name
- 3,5,5-trimethylhexylamine
- Molecular formula
- C9H21N
- Molecular weight
- 143.27
Names & synonyms
3,5,5-Trimethylhexylamine1-Hexanamine, 3,5,5-trimethyl-3,5,5-Trimethyl-1-hexanamineEINECS 222-177-5AI3-22315DTXSID801309679NSC 83152RefChem:486461DTXCID201739551222-177-53,5,5-trimethylhexan-1-amine3378-63-0
Show more names
Hexylamine, 3,5,5-trimethyl-NSC831523,5-TrimethylhexylamineHexylamine,5,5-trimethyl-NCIOpen2_0012471-Amino-3,5-trimethylhexaneSCHEMBL2767341-Hexanamine,5,5-trimethyl-
Database identifiers
- CAS
3378-63-0- PubChem CID
- 98149
- DTXSID
DTXSID801309679- EC Number
- 222-177-5
- Nikkaji
- J113.948G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 81.2
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 20 Torr)
- Density
- 0.79 · 0.790±0.06 g/cm3(Predicted)
- pka
- 10.69 · 10.69±0.13(Predicted)
- InChI
- InChI=1S/C9H21N/c1-8(5-6-10)7-9(2,3)4/h8H,5-7,10H2,1-4H3
- InChIKey
- SIABJTQKCPDDKL-UHFFFAOYSA-N
- SMILES
- C(N)CC(C)CC(C)(C)C
- Symbol(GHS)
- 7 · GHS07,GHS02,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H318-H411-H302-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- REACH Registrations
- Active
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 3,5,5-trimethylhexylamine (EC: 222-177-5)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02,GHS09,GHS05
- Hazard statements
- H226-H318-H411-H302-H314
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers23 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
武汉华瀚鼎诚新材料科技有限公司18963961905 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
山东风扬科技有限公司19285468033 19255465625
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
南京材化电子新材料有限公司01586919 18901586919 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
北京科易通达科技发展有限公司17743531240 · [email protected]
成都博科辰欣医药科技有限公司028-82393420 18108156287 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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