Basic information
- CAS
68808-54-8- Standard SMILES
CC(=O)O.Cc1c(N)nc(C)c2c1[nH]c1ccccc12- InChIKey
UXNRBAJNAWIPGF-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.13207679
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-, acetate
- IUPAC
- acetic acid;1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine
- English name
- 3-AMINO-1,4-DIMETHYL-5H-PYRIDO[4,3-B]INDOLE, ACETATE
- Molecular formula
- C15H17N3O2
- Molecular weight
- 271.31
Names & synonyms
68808-54-83-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole acetateTrp-P-1 (acetate)CCRIS 14093-AMINO-1,4-DIMETHYL-5H-PYRIDO(4,3-B)INDOLE ACETATE5H-Pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-, acetate5H-Pyrido(4,3-b)indol-3-amine, 1,4-dimethyl-, monoacetate3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole monoacetate3-AMINO-1,4-DIMETHYL-5H-PYRIDO[4,3-B]INDOLE MONOACETATERefChem:538295815-098-8Trp-P-1 acetate
Show more names
Tryptophan p 1 acetate3-b)indol-3-amine,1,4-dimethyl-5h-pyrido(acetate3-b)indole,3-amino-1,4-dimethyl-5h-pyrido(acetate3-b)indol-3-amine,1,4-dimethyl-5h-pyrido(monoacetate3-AMINO-1,4-DIMETHYL-5H-PYRIDO[4,3-B]INDOLE, ACETATE3-Amino-1,4-dimethyl-5h-pyrido[4,3-β]indole, Acetate1,4-Dimethyl-5H-pyrido[4,3-β]indol-3-amine Monoacetate1,4-Dimethyl-5H-pyrido[4,3-b]indol-3-amine Monoacetate1,4-dimethyl-5H-pyrido[4,3-b]indol-3-amine acetate - [D94566]
Properties
Computed structural properties
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 250 · 250-260
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- form
- Solid
- color
- Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- Hazard Note
- Irritant/Mutagen
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant/Mutagen
- safety_code
- 45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesTrp-P-1 is highly mutagenic in the Ames test. Investigations have shown that broiled fish, fried beef and commercial beef extracts, and protein pyrolysates contain this mutagen
Upstream & downstream products
Upstream raw materials
Suppliers8 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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