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Basic information
- CAS
4765-22-4- Standard SMILES
CC(CN)c1c[nH]c2ccccc12- InChIKey
UNUICNBHOJTXMS-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Names & identifiers
- Preferred name
- beta-Methyltryptamine
- IUPAC
- 2-(1H-indol-3-yl)propan-1-amine
- English name
- 2-(1H-indol-3-yl)propan-1-amine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24226
Names & synonyms
beta-MethyltryptamineRefChem:9170892-(1H-indol-3-yl)propan-1-amine4765-22-4CHEMBL1484631H-Indole-3-ethanamine, beta-methyl-SCHEMBL2746622-(1H-indol-3-yl)propylamineSCHEMBL29611535DTXSID709638952-(1 H-indol-3-yl)propylamine2-(1H-Indol-3-yl)-propylamine
Show more names
UNUICNBHOJTXMS-UHFFFAOYSA-NBDBM50068509MFCD13183885PDSP1_000948PDSP2_000934AKOS022505209EN300-1223559F2147-2880
Database identifiers
- CAS
4765-22-4- PubChem CID
- 6452095
- DTXSID
DTXSID70963895- ChEMBL
CHEMBL148463- Nikkaji
- J549.286F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海珍芝医药科技有限公司15262370735 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
Related reactions
8 records
Compound notes
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