N-벤질라미노아세탈데하이드디에틸아세탈

(Benzylamino)acetaldehyde diethyl acetal

HCID 521961

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 61190-10-1
표준 SMILES: CCOC(CNCc1ccccc1)OCC
InChIKey: SXFVQTYQHWRYOS-UHFFFAOYSA-N
분자식: C13H21NO2
평균 분자량: 223.31 g/mol
단동위원소 질량: 223.15722891

이름 및 식별자

우선 이름: (Benzylamino)acetaldehyde diethyl acetal
IUPAC: N-benzyl-2,2-diethoxyethanamine
현지명: N-벤질라미노아세탈데하이드디에틸아세탈
영어명: N-Benzylaminoacetaldehyde diethyl acetal
분자식: C13H21NO2
분자량: 223.31

이름 및 동의어

(Benzylamino)acetaldehyde diethyl acetalRefChem:405848641-185-361190-10-1N-Benzyl-2,2-diethoxyethanamineN-Benzylaminoacetaldehyde diethyl acetalMFCD00051599(2,2-diethoxyethyl)benzylaminebenzyl(2,2-diethoxyethyl)amineN-Benzyl-N-(2,2-diethoxyethyl)amineSCHEMBL289500CHEMBL5075867

이름 더 보기

N-벤질라미노아세탈데하이드디에틸아세탈2,2-diethoxyethyl-(phenylmethyl)ammoniumN-Benzyl-N-(2,2-diethoxyethyl)amine, 95+%Benzenemethanamine, N-(2,2-diethoxyethyl)-2-(Benzylamino)acetaldehyde diethyl acetal

n-benzyl-2,2-diethoxy-ethanaminebenzylaminoacetaldehyde diethylacetalN-Benzyl-2,2-diethoxyethanamine #Benzyl-(2,2-diethoxy-ethyl)-amineN-benzyl-2,2-diethoxyethan-1-amineSBB096524n-benzylaminoacetaldehyde diethylacetalAKOS017272998

데이터베이스 식별자

CAS: 61190-10-1
PubChem CID: 521961
ChEMBL: CHEMBL5075867
EC Number: 641-185-3
Nikkaji: J308.909F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 16
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 115 · 115-117°C 1mm
밀도: 0.985 · 0.985±0.06 g/cm3(Predicted)
굴절률: 1.489 · 1.4890
인화점: 115 · 115-117°C/1mm
산도 계수 (pKa): 7.53 · 7.53±0.29(Predicted)
BRN: 2694610 · 2694610
NIST: N-benzylaminoacetaldehyde diethyl acetal(61190-10-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

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

Aggregated GHS information provided per 6 reports by companies from 3 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.