2-(Isopropylsulfonyl)ethanamine

HCID 22017749
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Basic information

CAS
320337-16-4
Standard SMILES
CC(C)S(=O)(=O)CCN
InChIKey
FPMDQMBQVDRLPN-UHFFFAOYSA-N
Molecular formula
C5H13NO2S
Average molar mass
151.23 g/mol
Monoisotopic mass
151.06669966

Names & identifiers

Preferred name
2-(Isopropylsulfonyl)ethanamine
IUPAC
2-propan-2-ylsulfonylethanamine
English name
2-(isopropylsulfonyl)ethanamine
Molecular formula
C5H13NO2S
Molecular weight
151.23

Names & synonyms

2-(ISOPROPYLSULFONYL)ETHANAMINE320337-16-42-propan-2-ylsulfonylethanamine2-(2-aminoethanesulfonyl)propane2-(Isopropylsulfonyl)ethan-1-amine1-[(methylethyl)sulfonyl]eth-2-ylamineIso-Propylsulfonylethylamineiso-propanesulfonylethylamine2-isopropylsulfonylethanamineSCHEMBL4002903DTXSID10621563FPMDQMBQVDRLPN-UHFFFAOYSA-N
Show more names
2-isopropylsulfonylethylamine2-[(1-Methylethyl)sulfonyl]ethanamineEthanamine, 2-[(1-methylethyl)sulfonyl]-2-(Isopropylsulfonyl)ethanamine hydrochloride2-(isopropylsulfonyl)ethanamine(SALTDATA: HCl)[2-(isopropylsulfonyl)ethyl]amine hydrochloride
ALBB-0133732-(isopropylsulphonyl)ethan-1-amineMFCD06213263SBB0767902-(Propane-2-sulfonyl)ethan-1-amineAKOS002677105NS-01168DB-093370

Database identifiers

CAS
320337-16-4
PubChem CID
22017749
DTXSID
DTXSID10621563

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
68.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9

Physicochemical properties

Boiling point
298.2 · 298.2±23.0 °C(Predicted)
Density
1 · 1+-.0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
solid
pka
7.25 · 7.25±0.10(Predicted)
InChI
1S/C5H13NO2S.ClH/c1-5(2)9(7,8)4-3-6;/h5H,3-4,6H2,1-2H3;1H

Safety & regulation

Safety data

risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26
hazard_class
IRRITANT

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers10 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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