N-Benzylethylenediamine

N1-BENZYLETHANE-1,2-DIAMINE · 1,2-Ethanediamine, N-(phenylmethyl)- · N-Benzylethylenediam · N-Benzylethanediamine · N-BENZYLETHYLENEDIAMINE · Monobenzylethylendiamine · 2-aminoethyl-(benzyl)amine · Ethylenediamine, N-benzyl-

https://huagongshe.com/ko/chemical/77801

식별자 및 물리적 특성

CAS No.	4152-09-4
분자식	C9H14N2
평균 분자량	150.22 g/mol
단동위원소 질량	150.11569845 g/mol
SMILES	NCCNCc1ccccc1
InChIKey	ACYBVNYNIZTUIL-UHFFFAOYSA-N
PubChem CID	77801
EC No.	223-984-5
DTXSID	DTXSID9063322

화학 및 물리적 성질

XLogP	0.5
극성 표면적	38.1
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	11
형식 전하	0
복잡도	87.6
끓는 점	162 °C/20 mmHg (lit.)
밀도	1 g/mL at 25 °C (lit.)
굴절률	1.5400
인화점	95°C
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	투명한 액체
pKa(산도 계수)	9.27±0.10(Predicted)
색상	무색~연황색
용해도	무시할 만한
BRN	907505
InChI	InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
InChIKey	ACYBVNYNIZTUIL-UHFFFAOYSA-N
SMILES	C(NCC1=CC=CC=C1)CN
NIST	1,2-Ethanediamine, n-(phenylmethyl)-(4152-09-4)
EPA	1,2-Ethanediamine, N-(phenylmethyl)- (4152-09-4)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류	DangerH302 (60.8%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 176 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29958N-benzylethylenediamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories	Acute Tox. 4 (60.8%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	2735
관세 코드	29335990
위험 문구(R)	34
위험 표시	C
안전 문구(S)	23-26-36/37/39-45
포장분류	III
위험 등급	8Skin Corr. 1B
저장 분류	8A - Combustible corrosive hazardous materials

용도

N-Benzylethylenediamine may be used for the synthesis of N-benzyl-N,N′,N′-tris(tert-butyloxycarbonylmethyl)ethylenediamine and 3-benzyl-2-(phenyl-2-sulfonate)-2-imidazoline tetraheptylammonium salt.

일반 설명

N-Benzylethylenediamine participates in the one-pot synthesis of N,N,N′-trisubstituted guanidines. It undergoes condensation with dibenzoylmethane (1,3-diphenyl-1,3-propanedione) in stoichiometric ratio 1:1 to afford the corresponding Schiff monobase.