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| CAS No.: | 19341-54-9 |
|---|---|
| Name: | N-ETHYLGUANIDINE HYDROCHLORIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C3H9N3.HCl |
| Molecular Weight: | 123.586 |
| Synonyms: | Guanidine,ethyl-, monohydrochloride (8CI,9CI);Ethylguanidine hydrochloride;N-Ethylguanidine hydrochloride; |
| EINECS: | 242-974-1 |
| Melting Point: | 115-118 °C |
| Boiling Point: | 186.2 °C at 760 mmHg |
| Flash Point: | 66.4 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 61.90000 |
| LogP: | 1.48230 |
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- Total:13 Page 1 of 1 1
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Specification
The N-Ethylguanidine hydrochloride, with the CAS registry number 19341-54-9 and EINECS registry number 242-974-1, has the systematic name of (E)-amino(ethylimino)methanaminium chloride. And the molecular formula of the chemical is C3H9N3.HCl.
The characteristics of this chemical are as followings: (1)H-Bond Donor 3; (2)H-Bond Acceptor 3; (3)Rotatable Bond Count 1; (4)Tautomer Count 2; (5)Exact Mass 123.056325; (6)MonoIsotopic Mass 123.056325; (7)Topological Polar Surface Area 64.4; (8)Heavy Atom Count 7; (9)Formal Charge 0; (10)Complexity 53.1; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 2.
Uses of cis-2-Phenyl-1,3-dioxan-5-ol: It can react with 3,4-dihydro-1-(2-benzylidene)naphthalenone to produce ethyl-(4-phenyl-5,6-dihydro-benzo[h]quinazolin-2-yl)-amine. This reaction will need reagent sodium, menstruum ethanol, and heating. And the yield is about 37%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCNC(=N)N.Cl
(2)InChI: InChI=1/C3H9N3.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H4,4,5,6);1H
(3)InChIKey: GVSGVBVZXJOLDD-UHFFFAOYAZ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | subcutaneous | 284mg/kg (284mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 28, Pg. 251, 1926. |