Basic information
- CAS
37125-92-1- Standard SMILES
Cc1[nH]c2ccccc2c1CN(C)C- InChIKey
AJNMXMZCRHTBEH-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 3-((Dimethylamino)methyl)-2-methylindole
- IUPAC
- N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)methanamine
- English name
- 2-Methyl-3-N,N-dimethylaminomethylindole
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
37125-92-12-methylgramine1H-Indole-3-methanamine, N,N,2-trimethyl-FH810Q3BT2NSC 24942NSC-249423-((Dimethylamino)methyl)-2-methylindoleN,N,2-TRIMETHYL-1H-INDOLE-3-METHANAMINE3-(N,N-DIMETHYLAMINOMETHYL)-2-METHYLINDOLEINDOLE, 3-((DIMETHYLAMINO)METHYL)-2-METHYL-RefChem:488804653-185-0
Show more names
3-(DIMETHYLAMINOMETHYL)-2-METHYLINDOLE3-[(dimethylamino)methyl]-2-methyl-1H-indoleDIMETHYL-(2-METHYL-1H-INDOL-3-YLMETHYL)-AMINE
2-Methyl-3-N,N-dimethylaminomethylindoleN,N-dimethyl-1-(2-methyl-1H-indol-3-yl)methanamine2-METHYL GRAMINEdimethyl[(2-methyl-1H-indol-3-yl)methyl]amineMFCD00022712NSC24942Spectrum_000945SpecPlus_000124
Database identifiers
- CAS
37125-92-1- PubChem CID
- 181513
- DTXSID
DTXSID30958303- ChEMBL
CHEMBL1354316- UNII
- FH810Q3BT2
- EC Number
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Collision Cross Section140.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 120 · 120-121 °C(Solv: acetone (67-64-1); ethanol (64-17-5))
- Boiling point
- 133 · 133-134 °C(Press: 1.5 Torr)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 17.57 · 17.57±0.30(Predicted)
- FDA UNII
- 810 Q3BT2 · FH810Q3BT2
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H301-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
- 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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H335-H301-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
菏泽博揽生物医药科技有限公司17686525805 17686525805 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
2 records
Compound notes
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