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CAS No.: | 306-60-5 |
---|---|
Name: | AGMATINE SULFATE ENDOGENOUS AGONIST AT |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C5H14N4 |
Molecular Weight: | 130.193 |
Synonyms: | Agmatine(6CI);Guanidine, (4-aminobutyl)- (8CI,9CI);(4-Aminobutyl)guanidine;1,4-Butanediamine, N-(aminoiminomethyl)-;1-Amino-4-guanidinobutane;4-Guanidino-1-butanamine;N-(4-Aminobutyl)guanidine;NSC 56332;2-(4-aminobutyl)guanidine;1-(4-Aminobutyl)guanidin;1-Amino-4-guanidinobutane;2-(4-aminobutyl)guanidine;Guanidine, (4-aminobutyl)-;agmatine; |
EINECS: | 206-187-7 |
Density: | 1.2 g/cm3 |
Boiling Point: | 281.4 °C at 760 mmHg |
Flash Point: | 124 °C |
Appearance: | powder |
PSA: | 87.92000 |
LogP: | 1.09960 |
Conditions | Yield |
---|---|
at 80℃; for 0.75h; | 96% |
N-Benzyloxycarbonyl-NG-nitroagmatin
1-(4-aminobutyl)guanidine
Conditions | Yield |
---|---|
With formic acid; palladium on activated charcoal In methanol for 2h; Ambient temperature; | 52% |
With formic acid; palladium on activated charcoal In methanol at 25℃; for 2h; Yield given; |
Conditions | Yield |
---|---|
durch Escherichia coli; | |
With Escherichia coli | |
With E.coli; streptococcus faecalis bei pH 4; | |
With L-arginine decarboxylase; pyridoxal 5'-phosphate; diothiothreitol In phosphate buffer at 50℃; for 0.166667h; pH=6.5; | |
With 3,5,5-Trimethylcyclohex-2-en-1-one In isopropyl alcohol at 150℃; for 4h; Autoclave; |
Conditions | Yield |
---|---|
With water | |
With barium sulfate |
2-methylisothiourea sulphate
1,4-diaminobutane
1-(4-aminobutyl)guanidine
3,5-Dimethylpyrazole-1-carboxamidine
N-benzyloxycarbonyl-1,4-butanediamine hydrochloride
1-(4-aminobutyl)guanidine
Conditions | Yield |
---|---|
(i) aq. NaOH, EtOH, (ii) aq. HBr; Multistep reaction; |
1-(4-aminobutyl)guanidine
Conditions | Yield |
---|---|
With saprophytes | |
With barium dihydroxide; water |
1-(4-aminobutyl)guanidine
Conditions | Yield |
---|---|
With sulfuric acid Hydrolysis; |
1-(4-aminobutyl)guanidine
Conditions | Yield |
---|---|
With carbon dioxide; water |
Conditions | Yield |
---|---|
With water |
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The Guanidine,N-(4-aminobutyl)-, with the CAS registry number 306-60-5 and EINECS registry number 206-187-7, has the systematic name and IUPAC name of 2-(4-aminobutyl)guanidine. And the molecular formula of the chemical is C5H14N4.
The characteristics of Guanidine,N-(4-aminobutyl)- are as followings: (1)ACD/LogP: -1.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.14; (4)ACD/LogD (pH 7.4): -5.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 22.08 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 34.38 cm3; (15)Molar Volume: 107.8 cm3; (16)Polarizability: 13.63×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 124 °C; (20)Enthalpy of Vaporization: 52.02 kJ/mol; (21)Boiling Point: 281.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00357 mmHg at 25°C.
Uses of Guanidine,N-(4-aminobutyl)-: It can react with mitomycin A to produce C20H29N7O5. This reaction will need menstruum methanol. And the yield is about 92%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N(=C(\N)N)\CCCCN
(2)InChI: InChI=1/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
(3)InChIKey: QYPPJABKJHAVHS-UHFFFAOYAX