beta,beta-Dimethyl-1H-indole-3-ethanamine

HCID 27303
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Basic information

CAS
15467-31-9
Standard SMILES
CC(C)(CN)c1c[nH]c2ccccc12
InChIKey
BRRFYKZLWPFRQZ-UHFFFAOYSA-N
Molecular formula
C12H16N2
Average molar mass
188.27 g/mol
Monoisotopic mass
188.13134851

Names & identifiers

Preferred name
beta,beta-Dimethyl-1H-indole-3-ethanamine
IUPAC
2-(1H-indol-3-yl)-2-methylpropan-1-amine
English name
2-(1H-indol-3-yl)-2-methylpropan-1-amine
Molecular formula
C12H16N2
Molecular weight
188.27

Names & synonyms

15467-31-9INDOLE, 3-(2-AMINO-1,1-DIMETHYLETHYL)-DTXSID50165698RefChem:1079561DTXCID4088189beta,beta-Dimethyl-1H-indole-3-ethanamine2-(1H-indol-3-yl)-2-methylpropan-1-aminebeta,beta-DimethyltryptamineBRN 01444021H-Indole-3-ethanamine, beta,beta-dimethyl-2-(1H-indol-3-yl)-2-methyl-propan-1-amineSCHEMBL273916
Show more names
3-(2-Amino-tert-butyl)indole1H-Indole-3-ethanaMine, b,b-diMethyl-1H-Indole-3-ethanamine, β,β-dimethyl-2-(1H-Indol-3-yl)-2-methyl-1-propanamine
SCHEMBL29611302BRRFYKZLWPFRQZ-UHFFFAOYSA-NMFCD01719236AKOS005145969SB150702-(1H-indol-3-yl)-2-methylpropylamineDS-11601DB-019367

Database identifiers

CAS
15467-31-9
PubChem CID
27303
DTXSID
DTXSID50165698

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
41.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Boiling point
347.3 · 347.3±17.0 °C(Predicted)
Density
1.093 · 1.093
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
17.31 · 17.31±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers13 total

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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