Guanidine

식별자 및 물리적 특성

CAS No.	113-00-8
분자식	CH5N3
평균 분자량	59.07 g/mol
단동위원소 질량	59.04834716 g/mol
SMILES	N=C(N)N
InChIKey	ZRALSGWEFCBTJO-UHFFFAOYSA-N
PubChem CID	3520
ChEMBL	CHEMBL821
ChEBI	CHEBI:42820
EC No.	204-021-8
DTXSID	DTXSID0023117

화학 및 물리적 성질

XLogP	-1.3
극성 표면적	75.9
수소 결합 공여자 수	3
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	4
형식 전하	0
복잡도	26.3
물질 분류	Nitrogen Compounds -> Other Nitrogen Compounds
의약품	Pharmaceuticals -> Listed in ZINC15
농약	Environmental transformation -> Pesticide transformation products (metabolite, successor)
Color/Form	Deliquescent crystalline mass
용해도	In water, 1,840 mg/L at 25 °C829 mg/mL
Decomposition	When heated to decomposition it emits toxic fumes of /Nitrogen oxide/.
녹는점	50 °C182.3 °C
증기압	4.1 [mmHg]
Food Contact Substances	FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description	Deliquescent solidAbsorbs carbon dioxide from the air[Merck Index]
Ionization Efficiency	Positive1.952.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Dissociation Constants	12.5pKa = 12.5

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.DangerH225 (40%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 14-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17100
유해성 요약	The chloride salt is highly irritating to the skin and eyes of rabbits and is not a skin sensitizer in guinea pigsSymptoms of severe oral intoxication include muscle tremors and convulsive contractions, salivation, vomiting, hypoglycemia, and circulatory disturbances[HSDB]
FDA 요건	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl guanidine hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Guanidine Hydrochloride/
Special Reports	European Chemicals BureauIUCLID Dataset, Guanidine chloride (CAS # 50-01-1) (2000 CD-ROM edition). Available from the Database Query page at: http://ecb.jrc.it/esis/esis.php as of March 4, 2008.
Hazard Classes and Categories	Flam. Liq. 2 (40%)Acute toxicity (Oral) - Category 4
보관 조건	Store at 25 °C (77 °F)excursions permitted to 15-30 °C (59-86 °F). /Guanidine hydrochloride/
처리 방법	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.