4-Penten-1-amine Hydrochloride - CAS 27546-60-7
Catalog: |
BB058364 |
Product Name: |
4-Penten-1-amine Hydrochloride |
CAS: |
27546-60-7 |
Synonyms: |
4-Pentenylamine Hydrochloride; 1-Amino-4-pentene Hydrochloride; 4-Penten-1-ylamine Hydrochloride; 4-Pentenamine Hydrochloride; 5-Aminopent-1-ene Hydrochloride |
IUPAC Name: | pent-4-en-1-aminehydrochloride |
Description: | 4-Penten-1-amine Hydrochloride is the salt of 4-Penten-1-amine (P227400), in which at the presence of sugars, lysine, similarly to asparagine and phenylalanine, can undergo carbonyl-assisted decarboxylative deamination reaction to generate pent-4-en-1-amine, the counterpart of acrylamide. |
Molecular Weight: | 85.15 + 36.46 |
Molecular Formula: | C5H11N·HCl |
Canonical SMILES: | C=CCCCN.Cl |
InChI: | InChI=1S/C5H11N.ClH/c1-2-3-4-5-6/h2H,1,3-6H21H |
InChI Key: | DDRDGPNKLVPJIR-UHFFFAOYSA-N |
Melting Point: | 182 - 184°C |
Solubility: | Methanol (Slightly), Water (Slightly) |
Appearance: | Off-White to Pale Beige Solid |
Storage: | 4°C |
References: | Stadler, R., et al. Chem. Res. Toxicol., 16, 1242 (2003); Stadler, R., et al. J. Agric. Food Chem., 52, 5550 (2004). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019122200-A1 | Polymerase chain reaction composition comprising amines | 20171222 |
CN-111556900-A | Polymerase chain reaction compositions comprising amines | 20171222 |
EP-3728633-A1 | Polymerase chain reaction composition comprising amines | 20171222 |
US-2020392562-A1 | Polymerase chain reaction composition comprising amines | 20171222 |
EP-3589287-A1 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
US-2020002347-A1 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
WO-2018160892-A1 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
US-11053253-B2 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
US-2021300934-A1 | Macrocyclic compounds for treatment of medical disorders | 20170301 |
US-2019330158-A1 | Amino sulfonyl compounds | 20161123 |
Complexity: | 32.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.0658271 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.0658271 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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