Basic information
- CAS
22526-47-2- Standard SMILES
C[C@H](N)C(C)(C)C- InChIKey
DXSUORGKJZADET-YFKPBYRVSA-N- Molecular formula
- C6H15N
- Average molar mass
- 101.19 g/mol
- Monoisotopic mass
- 101.12044948
Names & identifiers
- Preferred name
- (2S)-3,3-dimethylbutan-2-amine
- IUPAC
- (2S)-3,3-dimethylbutan-2-amine
- English name
- (S)-(+)-3,3-Dimethyl-2-butylamine
- Molecular formula
- C6H15N
- Molecular weight
- 101.19
Names & synonyms
(2S)-3,3-dimethylbutan-2-amineRefChem:398494(+)-2-Amino-3,3-dimethylbutane627-009-822526-47-2(S)-(+)-3,3-Dimethyl-2-butylamine(S)-3,3-dimethylbutan-2-amine(S)-3,3-Dimethyl-2-butylamine(S)-3,3-Dimethyl-2-aminobutaneMFCD006716442-Butanamine, 3,3-dimethyl-, (2S)-DTXSID10426479
Show more names
(S)-(-)-3,3-DIMETHYL 2-AMINOBUTANE(S)-(+)-3,3-DiMethyl-2-butylaMine 97%(S)-(+)-3,3-Dimethyl-2-butylamine, ChiPros
AKOS015841165D83289SCHEMBL353937SCHEMBL2430204SCHEMBL15575846(S)-1,2,2-trimethylpropylamine(s)-2-amino-3,3-dimethylbutane(1S)-1,2,2-trimethylpropylamine
Database identifiers
- CAS
22526-47-2- PubChem CID
- 7004913
- DTXSID
DTXSID10426479- EC Number
- 627-009-8
- Nikkaji
- J60.668E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51
Physicochemical properties
- Melting point
- -4 °C · -4°C
- Boiling point
- 103 °C · 103°C
- Density
- 0.743 g/mL · 0.743 g/mL at 25 °C
- refractive index
- 1.4126 · 1.4126
- Flash point
- 2 °C · 2°C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol
- form
- Oil
- pka
- 10.86 · 10.86±0.13(Predicted)
- color
- Clear Colourless
- Sensitive
- Air Sensitive
- BRN
- 4652328 · 4652328
- InChI
- 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
- InChIKey
- DXSUORGKJZADET-YFKPBYRVSA-N
- SMILES
- C[C@H](N)C(C)(C)C
- CAS DataBase Reference
- 22526 · 22526-47-2(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H412 (90.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (90.9%)；Skin Corr. 1B (100%)；Aquatic Chronic 3 (90.9%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- 2734
- risk_code
- 11-34-22-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- safety_code
- 26-36/37/39-45-16-61
- hazard_class
- 3
Chemistry & industry
Applications
Uses(S)-(+)-3,3-Dimethyl-2-butylamine may be used in the preparation of:methyl 3′-{[(2S-3,3-dimethylbutan-2-yl]carbamoyl]-2,2′-binaphthalene-3-carboxylateN,N-(S)-bis(diphenylphosphanyl)-3,3-dimethyl-2-butylamine
Suppliers51 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司
Related reactions
16 records
Compound notes
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