Basic information
- CAS
22526-46-1- Standard SMILES
CC(C)[C@H](C)N- InChIKey
JOZZAIIGWFLONA-YFKPBYRVSA-N- Molecular formula
- C5H13N
- Average molar mass
- 87.16 g/mol
- Monoisotopic mass
- 87.10479942
Names & identifiers
- Preferred name
- 1,2-Dimethylpropylamine, (S)-
- IUPAC
- (2S)-3-methylbutan-2-amine
- English name
- (S)-(+)-2-Amino-3-methylbutane
- Molecular formula
- C5H13N
- Molecular weight
- 87.16
Names & synonyms
22526-46-1(S)-(+)-2-Amino-3-methylbutane(S)-(+)-3-Methyl-2-butylamine(S)-3-methyl-2-butylamine(S)-3-Methylbutane-2-amine2-Butanamine, 3-methyl-, (2S)-32QJA2ZJ2A(s)-2-amino-3-methylbutane1,2-Dimethylpropylamine, (S)-3-Methyl-2-butylamine, (2S)-Propylamine, 1,2-dimethyl-, (S)-J60.644H
Show more names
(S)-3-Methylbutan-2-aMine(2S)-3-METHYLBUT-2-YLAMINE(S)-(+)-3-Methyl-2-butylamine, ChiPros(S)-(+)-3-METHYL-2-BUTYLAMINE, CHIPROS 98+%, EE 99%
DTXSID80426446RefChem:411796DTXCID60377280627-253-5(2S)-3-methylbutan-2-amineUNII-32QJA2ZJ2AMFCD01075732(S)-1,2-dimethylpropylamine
Database identifiers
- CAS
22526-46-1- PubChem CID
- 6999788
- DTXSID
DTXSID80426446- UNII
- 32QJA2ZJ2A
- EC Number
- 627-253-5
- Nikkaji
- J60.644H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 32
Physicochemical properties
- alpha
- 5.3 · 5.3 º (NEAT)
- Boiling point
- 85 · 85-87°C
- Density
- 0.746 g/mL · 0.746 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.405
- Flash point
- 21 °C · <21°C
- form
- liquid
- pka
- 10.8 · 10.80±0.10(Predicted)
- Sensitive
- Air Sensitive
- BRN
- 1718797 · 1718797
- InChI
- 1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m0/s1
- InChIKey
- JOZZAIIGWFLONA-YFKPBYRVSA-N
- SMILES
- CC(C)[C@H](C)N
- FDA UNII
- 32 QJA2ZJ2A · 32QJA2ZJ2A
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H318-H225-H302+H312+H332-H314-H411-H302-H312-H332
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (90.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, 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, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 (100%)；Acute Tox. 4 (90.7%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 2 (90.7%)
Safety data
- F
- 10-34
- wgk
- 3
- rtecs
- UI1100000
- ridadr
- UN 2733 3/PG 2
- risk_code
- 11-20/21/22-35-51/53-34
Chemistry & industry
Applications
Uses(S)-3-Methyl-2-butanamine is a chiral reagent used in the study of enantioselective recognition of amines.
Suppliers36 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Syntechem Co.,Ltd[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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
Related reactions
13 records
Compound notes
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