Benzamidine (HCID 2332)

이름 및 식별자

우선 이름: Benzamidine
IUPAC: benzenecarboximidamide
영어명: .beta.-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)-
분자식: C15H20O4
분자량: 264.32

이름 및 동의어

benzamidine618-39-3BenzenecarboximidamideKUE3ZY3J1FNSC-243704DTXSID8045012CHEBI:41033RefChem:117157DTXCID6025012210-546-3BenzimidamidePhenylamidine

이름 더 보기

.beta.-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)-β-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)- (9CI)

MFCD00042826NSC 243704Benzamidine (Protonated)CHEMBL20936Benzamidinium chlorideBENBenzenecarboxamidineCCRIS 2952

데이터베이스 식별자

CAS: 123920-06-9、1670-14-0、618-39-3
PubChem CID: 2332
DTXSID: DTXSID8045012
ChEMBL: CHEMBL20936
ChEBI: CHEBI:41033
UNII: KUE3ZY3J1F
EC Number: 210-546-3
Nikkaji: J95.743G

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 49.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

실험 및 물리화학적 성질

Solubility>18 [ug/mL] (The mean of the results at pH 7.4)

Ionization Efficiency · 6건

Positive

3.47

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section124.7 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID9044401]；125.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044401]

물리화학적 성질

끓는 점: 387.6 · 387.6±42.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
산도 계수 (pKa): 14.51 · 14.51±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (54.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (54.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 2건

.beta.-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Benzenecarboximidamide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (54.4%)；Eye Irrit. 2 (100%)；STOT SE 3 (54.4%)

규제 정보

Regulatory Information · 2건

.beta.-allo-2-Octulopyranose, 2,7-anhydro-1,4,8-trideoxy-5-O-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Benzenecarboximidamide: Does not have an individual approval but may be used under an appropriate group standard