6-클로로구아닌

2-Amino-6-chloropurine

HCID 5360349

기본 정보

CAS: 10310-21-1
표준 SMILES: Nc1nc(Cl)c2[nH]cnc2n1
InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N
분자식: C5H4ClN5
평균 분자량: 169.57 g/mol
단동위원소 질량: 169.01552281

개요

6-chloroguanine is an organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. It is a member of 2-aminopurines and an organochlorine compound.

이름 및 식별자

우선 이름: 2-Amino-6-chloropurine
IUPAC: 6-chloro-7H-purin-2-amine
현지명: 6-클로로구아닌
영어명: 6-Chloroguanine
분자식: C5H4ClN5
분자량: 169.57

이름 및 동의어

2-Amino-6-chloropurine10310-21-16-Chloroguanine6-chloro-7H-purin-2-amine6-Chloro-2-aminopurine2-Amino-6-chlorpurinePurine, 2-amino-6-chloro-1H-Purin-2-amine, 6-chloro-6-CHLORO-1H-PURIN-2-AMINENSC-2957083V03P835EDTXSID9074432

이름 더 보기

6-클로로구아닌9H-PURIN-2-AMINE, 6-CHLORO-2-AMINO-6-CHLOROPURINE (2A6ClP)AURORA KA-689TIMTEC-BB SBB0038632-Amino-6-chloropuri

CHEBI:72345RefChem:464749DTXCID0032786233-686-76-Chloro-9H-purin-2-amine2-Amino-6-Chloro-Purin2-amino-6-chloro-9h-purine6-Chloro-7H-purin-2-ylamine

데이터베이스 식별자

CAS: 10310-21-1、133762-81-9
PubChem CID: 5360349
DTXSID: DTXSID9074432
ChEMBL: CHEMBL226396
ChEBI: CHEBI:72345
UNII: 83V03P835E
EC Number: 233-686-7
Nikkaji: J236.697E

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 80.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 279.76 °C · 279.76°C (rough estimate)
밀도: 1.4937 · 1.4937 (rough estimate)
굴절률: 1.611 · 1.6110 (estimate)
저장 조건: 2 · 2-8°C
용해도: 1 mol/L · 1mol/L NaOH에서의 용해도
물리적 상태: 가루
산도 계수 (pKa): 6.65 · 6.65±0.20(Predicted)
색상: 흰색에서 노란색으로
수용성: 1.7 g/L · 1.7g/L(20℃)
BRN: 9626 · 9626
InChI: InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N
SMILES: N1C2C(=NC(N)=NC=2Cl)NC=1
EPA: 6 · 6-Chloro-2-aminopurine (10310-21-1)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 2건

Not Classified

Aggregated GHS information provided per 42 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information1H-Purin-2-amine, 6-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 3
rtecs: UO7502000
HS 번호: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xi,Xn
safety_code: 22-24/25-36-26
위험 등급: IRRITANT, KEEP COLD
F 고인화성물질: 10
위험 참고 사항: Irritant/Keep Cold
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요2-Amino-6-chloropurine is a precursor in the synthesis of nucleoside analogs with antiviral activity against Epstein-Barr virus (EBV) and human herpes virus 6 (HHV-6).

용도2-Amino-6-chloropurine finds its uses in the enzymatic synthesis of 2-deoxyguanosine, 9-alkyl purines and (R)- and (S)-N-(2-phosphonomethoxypropyl) derivatives of purine and pyrimidine bases.

일반 설명2-Amino-6-chloropurine is a 6-substituted purine. Tautomeric purine forms of 2-amino-6-chloropurine were investigated by vibrational spectroscopy and quantum chemical method.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: 6-chloroguanine is an organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. It is a member of 2-aminopurines and an organochlorine compound.

화합물 노트

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