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1-Methyl-2,3-dihydro-1H-indole

HCID 55830
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
824-21-5
Standard SMILES
CN1CCc2ccccc21
InChIKey
FIRXFHJQGIIJDB-UHFFFAOYSA-N
Molecular formula
C9H11N
Average molar mass
133.19 g/mol
Monoisotopic mass
133.08914935

Names & identifiers

Preferred name
1-Methyl-2,3-dihydro-1H-indole
IUPAC
1-methyl-2,3-dihydroindole
English name
Dihydromethylindole
Molecular formula
C9H11N
Molecular weight
0

Names & synonyms

1-Methylindoline824-21-51-methyl-2,3-dihydro-1H-indoleRefChem:433955810-611-1881-507-188475-55-21-methyl-2,3-dihydroindoleN-methylindolineMFCD017188901H-INDOLE, DIHYDROMETHYL-Dihydromethylindole
Show more names
1H-Indole, 2,3-dihydro-1-methyl-Dihydromethyl-1H-indolemethylindolineN-methyl indoline1-1-Methylindoline1-Methylindoline #SCHEMBL142090SCHEMBL142091

Database identifiers

CAS
824-21-5、88475-55-2
PubChem CID
55830
DTXSID
DTXSID30237064
EC Number
810-611-1、881-507-1
Nikkaji
J79.974B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
122

Physicochemical properties

form
oil
color
Yellow
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332-H315-H319-H335
Precautionary statements
271 · P271-P260-P280
HS Code
2933998090 · 2933998090

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 · 6 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P271-P260-P280

Related reactions

28 records
New reaction record
HRID 6703 reaction equation
HRID 6703As productuspto-grants-2006_08
HRID 6704 reaction equation
HRID 6704As reactantuspto-grants-2006_08
HRID 6705 reaction equation
HRID 6705As productuspto-grants-2006_08
HRID 6708 reaction equation
HRID 6708As productuspto-grants-2006_08
HRID 6711 reaction equation
HRID 6711As productuspto-grants-2006_08
HRID 28417 reaction equation
HRID 28417As productuspto-grants-2008_09
HRID 28418 reaction equation
HRID 28418As reactantuspto-grants-2008_09
HRID 28419 reaction equation
HRID 28419As productuspto-grants-2008_09
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Compound notes

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