Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 72200생성일: 2026년 10월 27일

2-Aminoadenosine

2-NH2-rA · 2-NH2-A · Aminoadenosine · 2-AMINE ADENOSINE · 2,6-DIAMINOPURINE RIBOSIDE · (2R,3R,4S,5R)-2-(2,6-Diamino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol · 0/8/96 · 2-NH2-Ar

https://huagongshe.com/ko/chemical/72200

식별자 및 물리적 특성

CAS No.	2096-10-8
분자식	C10H14N6O4
평균 분자량	282.26 g/mol
단동위원소 질량	282.10765295 g/mol
SMILES	Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIKey	ZDTFMPXQUSBYRL-UUOKFMHZSA-N
PubChem CID	72200
ChEMBL	CHEMBL255442
ChEBI	CHEBI:1014
EC No.	606-677-4
DTXSID	DTXSID001346570

화학 및 물리적 성질

XLogP	-1.4
극성 표면적	166
수소 결합 공여자 수	5
수소 결합 수용자 수	9
회전 가능 결합 수	2
무거운 원자 수	20
형식 전하	0
복잡도	363
녹는점	241-243°C (dec.)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	산성 용액약간 용해됨, 가열, 초음파 처리), DMSO(약간 용해됨, 초음파 처리), 에탄올
물리적 상태	가루
끓는 점	798.5±70.0 °C(Predicted)
밀도	2.25±0.1 g/cm3(Predicted)
pKa(산도 계수)	13.10±0.70(Predicted)
색상	흰색에서 황백색까지
InChI	InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey	ZDTFMPXQUSBYRL-UUOKFMHZSA-N
SMILES	OC[C@H]1O[C@@H](N2C3C(=C(N=C(N)N=3)N)N=C2)[C@H](O)[C@@H]1O

화학적 성질

White Powder

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 2 reports by companies from 2 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (50%)
관세 코드	29389090
안전 문구(S)	24/25

용도

개요

2-Aminoadenosine is a known analogue of adenosine that engages in three hydrogen bonds of the W-C type, adding considerable stability to the double helix.

용도

2-Aminoadenosine is a nucleoside analog as inhibitor or substrate of adenosine kinase from M. tuberculosis. It is also used to synthesize 2′-O-methyl and 3′-O-methyl Guanosine.

CAS No.

2096-10-8

분자식

C10H14N6O4

평균 분자량

282.26 g/mol

단동위원소 질량

282.10765295 g/mol

SMILES

Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChIKey

ZDTFMPXQUSBYRL-UUOKFMHZSA-N

PubChem CID

72200

ChEMBL

CHEMBL255442

ChEBI

CHEBI:1014

EC No.

606-677-4

DTXSID

DTXSID001346570

화학 및 물리적 성질

XLogP

-1.4

극성 표면적

166

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

363

녹는점

241-243°C (dec.)

저장 조건

Keep in dark place,Sealed in dry,Room Temperature

용해도

산성 용액약간 용해됨, 가열, 초음파 처리), DMSO(약간 용해됨, 초음파 처리), 에탄올

물리적 상태

가루

끓는 점

798.5±70.0 °C(Predicted)

밀도

2.25±0.1 g/cm3(Predicted)

pKa(산도 계수)

13.10±0.70(Predicted)

색상

흰색에서 황백색까지

InChI

InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1

InChIKey

ZDTFMPXQUSBYRL-UUOKFMHZSA-N

SMILES

OC[C@H]1O[C@@H](N2C3C(=C(N=C(N)N=3)N)N=C2)[C@H](O)[C@@H]1O

화학적 성질

White Powder

안전 및 규제

GHS 분류

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 2 reports by companies from 2 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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (50%)

관세 코드

29389090

안전 문구(S)

24/25

용도

개요

2-Aminoadenosine is a known analogue of adenosine that engages in three hydrogen bonds of the W-C type, adding considerable stability to the double helix.

용도

2-Aminoadenosine is a nucleoside analog as inhibitor or substrate of adenosine kinase from M. tuberculosis. It is also used to synthesize 2′-O-methyl and 3′-O-methyl Guanosine.