CAS 936250-22-5 (2-Aminopyrimidin-5-yl)boronic acid (HCID 17750211)

기본 정보

CAS: 936250-22-5
표준 SMILES: Nc1ncc(B(O)O)cn1
InChIKey: CGHYQZASLKERLV-UHFFFAOYSA-N
분자식: C4H6BN3O2
평균 분자량: 138.92 g/mol
단동위원소 질량: 139.05530683

이름 및 식별자

우선 이름: (2-Aminopyrimidin-5-yl)boronic acid
IUPAC: (2-aminopyrimidin-5-yl)boronic acid
현지명: 2-아미노-피리미딘-5-보론산
영어명: 2-Amino-pyrimidine-5-boronic acid
분자식: C4H6BN3O2
분자량: 138.92

이름 및 동의어

936250-22-5(2-aminopyrimidin-5-yl)boronic acidDTXSID40590354RefChem:68569DTXCID30541118624-650-52-Aminopyrimidine-5-boronic acid2-Amino-pyrimidine-5-boronic acid2-aminopyrimidin-5-ylboronic acidMFCD073751472-Amino-5-pyrimidineboronic acidC4H6BN3O2

이름 더 보기

2-아미노-피리미딘-5-보론산>=95.0%Minimum purity 95.0%2-AMinopyriMidine-5-boronic2-Aminopyrimidine-5-boron...2-Aminopyrimidine-5-boronicaci2-aMino-4-pyMidine boronic acid2-Aminopyrimidine-5-ylboronic acid

2-Aminopyrimidine-5-boronic Acid (contains varying amounts of Anhydride)2-Amino-5-boronopyrimidineSCHEMBL95232-aminopyrimidin-5-boronic acid2-aminopyrimidine 5-boronic acid(2-aminopyrimidin-5-yl)boronicacid2-amino-pyrimidin-5-ylboronic acid2-aminopyrimidin-5-yl-boronic acid

데이터베이스 식별자

CAS: 936250-22-5
PubChem CID: 17750211
DTXSID: DTXSID40590354
EC Number: 624-650-5
Nikkaji: J2.543.574E

물성

구조 계산 물성

극성 표면적: 92.3 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 206 · 206-211 °C
끓는 점: 487 · 487.0±55.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
물리적 상태: 고체
산도 계수 (pKa): 2.58 · 2.58±0.11(Predicted)
색상: 회백색
안정성: 흡습성
InChI: 1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)
InChIKey: CGHYQZASLKERLV-UHFFFAOYSA-N
SMILES: Nc1ncc(cn1)B(O)O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.