기본 정보
- 표준 SMILES
O=S(=O)(O)CCCNC1CCCCC1- InChIKey
PJWWRFATQTVXHA-UHFFFAOYSA-N- 분자식
- C9.H19.N.O3.S
- 평균 분자량
- 221.32 g/mol
- 단동위원소 질량
- 221.10856447
개요
Cyclohexylaminopropanesulfonic acid is an amine.
이름 및 식별자
- 우선 이름
- 3-(Cyclohexylamino)-1-propanesulfonic acid
- IUPAC
- 3-(cyclohexylamino)propane-1-sulfonic acid
- 영어명
- 3-Cyclohexylaminopropanesulfonic Acid
- 분자식
- C9H19NO3S
- 분자량
- 221.32
이름 및 동의어
CAPS1135-40-63-(Cyclohexylamino)-1-propanesulfonic acid3-(cyclohexylamino)propane-1-sulfonic acid1-Propanesulfonic acid, 3-(cyclohexylamino)-3-(Cyclohexylamino)propanesulfonic acidWAS-124W981O1LXPDTXSID3061554CAPS acidRefChem:494739DTXCID1033327
이름 더 보기
SealsCAPS3Push-on capsCAPS, ULTROLCAPS ULTRAPURECAPS, free acidCAPS Buffer salt
214-492-13-Cyclohexylaminopropanesulfonic AcidN-Cyclohexyl-3-aminopropanesulfonic acid3-CYCLOHEXYL-1-PROPYLSULFONIC ACIDC9H19NO3SMFCD000038373-Cyclohexylaminopropane-1-sulphonic acidCyclohexylaminopropanesulfonic acid
데이터베이스 식별자
- CAS
1135-40-6- PubChem CID
- 70815
- DTXSID
DTXSID3061554- ChEBI
CHEBI:191088- UNII
- 4W981O1LXP
- EC Number
- 214-492-1
- Nikkaji
- J7.274E
물성
구조 계산 물성
- XLogP
- -1.4
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 239
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biological Buffers
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionColorless solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 밀도
- 1.1809 · 1.1809 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.525 · 1.5250 (estimate)
- 인화점
- 110 ℃ · >110℃
- 저장 조건
- room temp
- 용해도
- 2 O: · H2O: 0.5 M at 20 °C, 투명
- 물리적 상태
- 분말/고체
- 색상
- 하얀색
- 냄새
- 냄새 없는
- 수소이온지수(pH)
- 3 · 3.0-7.0 (20℃, 0.5M in H2O)
- 산도 계수 (pKa)
- 10.4 · 10.4(at 25℃)
- 수용성
- 9 g/100mL · 9g/100mL(20℃)
- Merck
- 14 · 14,1767
- BRN
- 2835588 · 2835588
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
- InChIKey
- PJWWRFATQTVXHA-UHFFFAOYSA-N
- SMILES
- OS(=O)(=O)CCCNC1CCCCC1
- LogP
- 0.3 at · 0.3 at 25℃
- EPA
- 1 · 1-Propanesulfonic acid, 3-(cyclohexylamino)- (1135-40-6)
- Absorption
- 0.2 at · ≤0.2 at 260 in H2O at 0.5M≤0.2 at 280 in H2O at 0.5M
화학적 성질
White/clear crystalline powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 85.9% (67 of 78) of all reports.
Warning
H315 (11.5%): 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 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 20-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20235
1-Propanesulfonic acid, 3-(cyclohexylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; Toxic by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (11.5%)
안전 및 보호
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ6395000
- HS 번호
- 29213099
- risk_code
- 36/38-36/37/38-22-20/21/22-40/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-37/39-24/25-22-23-36
- F 고인화성물질
- 34
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesUsed as a biological buffer; [Merck Index]
General Manufacturing Information1-Propanesulfonic acid, 3-(cyclohexylamino)-: ACTIVE
응용 분야
개요3-Cyclohexylaminopropanesulfonic Acid, also known as 3-(Cyclohexylamino)-1-propanesulfonic acid (CHAPS) or N-Cyclohexyl-3-aminopropanesulfonic acid, is a detergent with a high affinity for basic proteins that can be used to extract these proteins from biological samples and solubilize them. CHAPS is a type of ampholyte, which means it has both anionic and cationic groups.
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