pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt

HCID 85230CAS 15990-43-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C([O-])c1ccc[n+](Cc2ccccc2)c1
InChIKey
AVWFAACIXBQMBF-UHFFFAOYSA-N
분자식
C13H11NO2
평균 분자량
213.23 g/mol
단동위원소 질량
213.07897859

이름 및 식별자

우선 이름
pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
IUPAC
1-benzylpyridin-1-ium-3-carboxylate
영어명
N-Benzylniacin
분자식
C13H11NO2
분자량
213.24

이름 및 동의어

15990-43-9Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner saltEINECS 240-129-1Pyridinium, 3-carboxy-1-(phenylmethyl)-, hydroxide, inner saltDTXSID0065989RefChem:177681DTXCID70351491-benzylpyridin-1-ium-3-carboxylateN-Benzylniacin1-Benzyl pyridinium-3-carboxylate1-Benzyl-3-carboxylatopyridinium3-Carboxy-1-(phenylmethyl)pyridinium inner salt
이름 더 보기
BPCBPC-48Benzyl pyridinium 3-carboxylateBPC 5mg + TB 5mgN-BENZYLNICOTINAMIDE1-benzyl-3-carboxyl pyridinium chlorideN-Benzylniacin BPCBenzylnicotinium salt
1-(phenylmethyl)-3-pyridin-1-iumcarboxylateMFCD098416331-benzylpyridinium-3-carboxylateSCHEMBL124993SCHEMBL31124466AKOS015890307NS00020482F578556

데이터베이스 식별자

CAS
15990-43-9
PubChem CID
85230
DTXSID
DTXSID0065989
EC Number
240-129-1
Nikkaji
J219.928I

물성

구조 계산 물성

XLogP
2.8
극성 표면적
44 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
16

물리화학적 성질

물리적 상태
Paste
색상
light yellow
InChI
InChI=1S/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey
AVWFAACIXBQMBF-UHFFFAOYSA-N
SMILES
C(C1C=CC=CC=1)[N+]1=CC=CC(C(=O)[O-])=C1
EPA
3 · Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt (15990-43-9)

화학적 성질

N-Benzylniacin(BPC) is a colorless to yellowish transparent liquid.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.

Not Classified

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Chemical: Pyridinium, 3-carboxy-1-(phenylmethyl)-, hydroxide, inner salt

Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt: 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 CategoriesNot Classified

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-04871

화학 및 산업

용도 및 제조

General Manufacturing InformationPyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt: ACTIVE

응용 분야

용도N-Benzylniacin can be used as a top brightener and leveling agent in alkaline zinc plating.

상·하류 제품 정보

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Ningbo Qingteng Plastic Cost.,Ltd.+86-15028138352 +86-19322619905 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
山东泰诚生物科技有限公司18769832557 18769832557 · [email protected]

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