Basic information
- CAS
30218-58-7- Standard SMILES
Cc1ccc2[nH]cc(CN(C)C)c2c1- InChIKey
GXCDTJAVATWRFZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 5-Methylgramine
- IUPAC
- N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamine
- English name
- 5-Methylgramine
- Molecular formula
- C12H16N2
- Molecular weight
- 188.27
Names & synonyms
30218-58-75-Methylgramine1H-Indole-3-methanamine, N,N,5-trimethyl-INDOLE, 3-(DIMETHYLAMINO)METHYL-5-METHYL-1UL0HR1QXCNSC 88884BRN 0144975UNII-1UL0HR1QXCNSC-88884DTXSID101843204-22-00-04356 (Beilstein Handbook Reference)N,N,5-trimethyl-1H-Indole-3-methanamine
Show more names
5-methyl grantine3-(dimethylamino)methyl-5-methyl-indol3-(DIMETHYLAMINOMETHYL)-5-METHYLINDOLEN,N-Dimethyl-1-(5-methyl-1H-indol-3-yl)diMethyl-(5-Methyl-indol-3-ylMethyl)-aMine
INDOLE, 3-((DIMETHYLAMINO)METHYL)-5-METHYL-RefChem:198957DTXCID201068111H-Indole-3-methanamine, N,N,5-trimethyl-(9CI)N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamineMFCD00022732dimethyl[(5-methyl-1H-indol-3-yl)methyl]amineN,N-dimethyl(5-methyl-1H-indol-3-yl)methanamine
Database identifiers
- CAS
30218-58-7- PubChem CID
- 34855
- DTXSID
DTXSID10184320- ChEMBL
CHEMBL4584108- UNII
- 1UL0HR1QXC
- Nikkaji
- J36.995K
Properties
Computed structural properties
- XLogP
- 2.2
- 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
Physicochemical properties
- Boiling point
- 311.5 · 311.5±27.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 17.17 · 17.17±0.30(Predicted)
- Appearance
- Off-white to light brown Solid
- FDA UNII
- 1 UL0HR1QXC · 1UL0HR1QXC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- 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.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
上海相辉医药科技有限公司13761987713 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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