Basic information
- CAS
56897-53-1- Standard SMILES
NCCC(=O)NCCc1cnc[nH]1- InChIKey
ANRUJJLGVODXIK-UHFFFAOYSA-N- Molecular formula
- C8H14N4O
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.11676108
Overview
Carcinine is a beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of histamine. It has a role as an antioxidant and a crustacean metabolite. It is a beta-alanine derivative, a member of imidazoles and a monocarboxylic acid amide. It is functionally related to a histamine. It is a conjugate base of a carcininium.
Names & identifiers
- Preferred name
- Carcinine
- IUPAC
- 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
- English name
- Carcinine
- Molecular formula
- C8H14N4O
- Molecular weight
- 182.22
Names & synonyms
Carcinine56897-53-1beta-Alanylhistamine3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamideWIV0W167TCCHEBI:131429DTXSID90205421Propanamide, 3-amino-N-(2-(1H-imidazol-4-yl)ethyl)-3-amino-N-(2-(1H-imidazol-5-yl)ethyl)propanamideRefChem:123691DTXCID90127912N-(2-(1H-Imidazol-5-yl)ethyl)-3-aminopropanamide
Show more names
Carcinine ditrifluoroacetate Acetateβ-AlanylhistamineN-(2-(1H-Imidazol-5-yl)Carcinine dihydrochlorideβ-Alanylhistamine dihydrochloride
Carcinine ditrifluoroacetateN-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamideCarcinine hydrochloride saltUNII-WIV0W167TCSPBio_002343H-b-Ala-histaMineMFCD16618376beta-alaninylhistamine
Database identifiers
- CAS
56897-53-1- PubChem CID
- 2574
- DTXSID
DTXSID90205421
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 547.6 · 547.6±40.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- 100 mM · Soluble to 100 mM in water and to 100 mM in DMSO
- form
- Powder
- pka
- 14.37 · 14.37±0.10(Predicted)
- Sequence
- H-β-Ala-histamine hydrochloride salt
- FDA UNII
- 0 W167TC · WIV0W167TC
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Applications
UsesCarcinine is a highly selective H3 antagonist.
Suppliers54 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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