N-Benzylethylenediamine (HCID 77801)

개요

a metabolite of N-benzylpiperazine; has nootropic and anxiogenic activities; structure in first source

이름 및 식별자

우선 이름: N-Benzylethylenediamine
IUPAC: N'-benzylethane-1,2-diamine
영어명: N-Benzylethylenediamine
분자식: C9H14N2
분자량: 150.22

이름 및 동의어

N-Benzylethylenediamine4152-09-41,2-Ethanediamine, N-(phenylmethyl)-6SY1AQX8QSNSC-18480DTXSID9063322BEDA compoundRefChem:829235DTXCID4039940223-984-5N1-Benzylethane-1,2-diamine(2-aminoethyl)(benzyl)amine

이름 더 보기

N-BenzylethylenediamMonobenzylethylendiamine2-aminoethyl-(benzyl)amineN-Benzylethylenediamine,99%N-BENZYL-ETHANE-1,2-DIAMINE

Ethylenediamine, N-benzyl-N-BenzylethanediamineN'-benzylethane-1,2-diamineN-(2-aminoethyl)-N-benzylamineN-benzylethane-1,2-diamineMFCD000418962-BenzylaminoethylamineN-Benzyl-1,2-ethanediamine

데이터베이스 식별자

CAS: 4152-09-4
PubChem CID: 77801
DTXSID: DTXSID9063322
UNII: 6SY1AQX8QS
EC Number: 223-984-5
Nikkaji: J37.740F

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 38.1 Å²
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

물리화학적 성질

끓는 점: 162 °C/20 · 162 °C/20 mmHg (lit.)
밀도: 1 g/mL · 1 g/mL at 25 °C (lit.)
굴절률: 1.54 · 1.5400
인화점: 95 °C · 95°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.27 · 9.27±0.10(Predicted)
색상: 무색~연황색
수용성: 무시할 만한
BRN: 907505 · 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 · 1,2-Ethanediamine, n-(phenylmethyl)-(4152-09-4)
EPA: 1 · 1,2-Ethanediamine, N-(phenylmethyl)- (4152-09-4)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29958

N-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 CategoriesAcute Tox. 4 (60.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2735
HS 번호: 29335990
risk_code: 34
hazard_code: C
safety_code: 23-26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Ethanediamine, N1-(phenylmethyl)-: ACTIVE

응용 분야 · 2건

용도N-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 설명N-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.