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306-60-5

Basic Information
CAS No.: 306-60-5
Name: AGMATINE SULFATE ENDOGENOUS AGONIST AT
Article Data: 24
Molecular Structure:
Molecular Structure of 306-60-5 (AGMATINE SULFATE ENDOGENOUS AGONIST AT)
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
Synthetic route
2986-21-2

S-n-propylisothiourea

110-60-1

1,4-diaminobutane

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
at 80℃; for 0.75h;96%
23441-10-3

N-Benzyloxycarbonyl-NG-nitroagmatin

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
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;
74-79-3

L-arginine

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
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;
420-04-2

CYANAMID

110-60-1

1,4-diaminobutane

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
With water
With barium sulfate
14527-26-5, 867-44-7

2-methylisothiourea sulphate

110-60-1

1,4-diaminobutane

306-60-5

1-(4-aminobutyl)guanidine

22906-75-8

3,5-Dimethylpyrazole-1-carboxamidine

18807-73-3

N-benzyloxycarbonyl-1,4-butanediamine hydrochloride

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
(i) aq. NaOH, EtOH, (ii) aq. HBr; Multistep reaction;
arcain

arcain

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
With saprophytes
With barium dihydroxide; water
herring-milt

herring-milt

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
With sulfuric acid Hydrolysis;
cyanamide silver

cyanamide silver

hydrochloride of tetramethylenediamine

hydrochloride of tetramethylenediamine

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
With carbon dioxide; water
110-60-1

1,4-diaminobutane

S-methyl-thiuronium-sulfate

S-methyl-thiuronium-sulfate

306-60-5

1-(4-aminobutyl)guanidine

Conditions
ConditionsYield
With water
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Specification

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